| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 78.1 | Confident | 94.1 | Very high | 135 Ų | 135 | 33.5 Ų | 33.5 | 67% | 0.665 | 17% | 0.167 | S | C | * | . | 0 | 125.7 | 0 | -173.4 | 163 | 103.2 | 0 | 0 | 106.7 | Q43 T50 L52 | M1-Q43 HydrophobicContact CE-CB 4.22Å; M1-Q43 HydrophobicContact CE-CG 3.8Å; M1-Q43 HydrophobicContact SD-CG 3.94Å; M1-Q43 PolarHBondContact SD-NE2 3.2Å; M1-Q43 VanDerWaalsContact SD-NE2 3.36Å; M1-T50 HydrophobicContact SD-CG2 4.01Å; M1-L52 HydrophobicContact CE-CB 3.53Å; M1-L52 HydrophobicContact CE-CD1 3.88Å; M1-L52 HydrophobicContact CE-CD2 4.46Å; M1-L52 HydrophobicContact CE-CG 4.15Å | |||
| 2 | T | 93.6 | Very high | 93.7 | Very high | 52 Ų | 52 | 33.6 Ų | 33.6 | 32% | 0.319 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 133.4 | -178.1 | -46.4 | 0 | 0 | 0 | 0 | 109.2 | Y4 E49 C51 L52 | T2-Y4 HydrophobicContact CG2-CE1 4.07Å; T2-Y4 HydrophobicContact CG2-CE2 3.92Å; T2-E49 PolarHBondContact OG1-OE1 3.01Å; T2-C51 CarbonylContact O-C 3.57Å; T2-C51 WeakPolarHBondContact O-CA 3.49Å; T2-C51 VanDerWaalsContact O-CB 3.28Å; T2-C51 WeakPolarHBondContact O-CB 3.24Å; T2-L52 PolarHBondContact O-N 3.4Å |
| 3 | E | 96.7 | Very high | 93.4 | Very high | 72 Ų | 72 | 35.1 Ų | 35.1 | 34% | 0.336 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.1 | 175.8 | -178.2 | 176.8 | -154.1 | 0 | 0 | 109.1 | R41 L52 D54 | E3-R41 IonicContact OE1-CZ 3.7Å; E3-R41 IonicContact OE1-NH2 2.82Å; E3-R41 PolarHBondContact OE1-NH2 3.35Å; E3-L52 CarbonylContact C-O 3.6Å; E3-L52 WeakPolarHBondContact CA-O 3.46Å; E3-L52 HydrophobicContact CB-CB 4.27Å; E3-L52 HydrophobicContact CG-CB 4.24Å; E3-L52 HydrophobicContact CG-CD2 4.23Å; E3-L52 HydrophobicContact CG-CG 4.47Å; E3-D54 HydrophobicContact CG-CB 4.32Å |
| 4 | Y | 98.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.5 | 176.9 | -63.9 | -72.1 | 0 | 0 | 0 | 109.7 | T2 C51 L52 L53 D54 V160 I163 R164 | T2-Y4 HydrophobicContact CG2-CE1 4.07Å; T2-Y4 HydrophobicContact CG2-CE2 3.92Å; Y4-C51 HydrophobicContact CD2-CB 3.78Å; Y4-C51 HydrophobicContact CE2-CB 3.58Å; Y4-L52 PolarHBondContact N-O 3.4Å; Y4-L53 HydrophobicContact CD2-CD2 4.4Å; Y4-D54 PolarHBondContact O-N 3.42Å; Y4-V160 HydrophobicContact CD1-CG1 4.49Å; Y4-V160 HydrophobicContact CD2-CG1 3.73Å; Y4-V160 HydrophobicContact CD2-CG2 4.16Å; Y4-V160 HydrophobicContact CE1-CG1 4.33Å; Y4-V160 HydrophobicContact CE2-CG1 3.52Å; Y4-V160 HydrophobicContact CG-CG1 4.22Å; Y4-V160 HydrophobicContact CG-CG2 4.29Å; Y4-I163 HydrophobicContact CD1-CB 4.35Å; Y4-I163 HydrophobicContact CD1-CD1 4.4Å; Y4-I163 HydrophobicContact CD1-CG2 3.82Å; Y4-I163 HydrophobicContact CE1-CG2 4Å; Y4-R164 HydrophobicContact CE1-CG 4.25Å; Y4-R164 VanDerWaalsContact OH-CG 3.27Å; Y4-R164 WeakPolarHBondContact OH-CG 3.49Å; Y4-R164 PolarHBondContact OH-NE 3.02Å |
| 5 | K | 97.6 | Very high | 93.4 | Very high | 86 Ų | 86 | 31.5 Ų | 31.5 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 106 | 178.6 | -61.8 | -179.9 | 179 | -178.8 | 0 | 109.7 | D54 E76 G77 | K5-D54 CarbonylContact C-O 3.55Å; K5-D54 WeakPolarHBondContact CA-O 3.39Å; K5-D54 HydrophobicContact CG-CB 4.35Å; K5-E76 HydrophobicContact CB-CG 4.22Å; K5-E76 PolarHBondContact O-N 2.93Å; K5-G77 PolarHBondContact O-N 3.28Å |
| 6 | L | 98 | Very high | 93.5 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 138.8 | -177.4 | -48 | -174.9 | 0 | 0 | 0 | 109 | L53 D54 I55 L56 F156 L159 V160 I163 | L6-L53 HydrophobicContact CD1-CD1 4.45Å; L6-L53 HydrophobicContact CD1-CD2 4.23Å; L6-D54 PolarHBondContact N-O 3.22Å; L6-I55 HydrophobicContact CB-CG1 4.28Å; L6-I55 HydrophobicContact CD1-CG1 4.29Å; L6-I55 CarbonylContact O-C 3.58Å; L6-I55 WeakPolarHBondContact O-CA 3.35Å; L6-L56 PolarHBondContact O-N 3.14Å; L6-F156 HydrophobicContact CD1-CD1 3.89Å; L6-L159 HydrophobicContact CB-CD2 4.22Å; L6-L159 HydrophobicContact CD1-CD2 4.44Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.11Å; L6-L159 HydrophobicContact CG-CD2 4.39Å; L6-V160 HydrophobicContact CD1-CG2 4.25Å; L6-V160 HydrophobicContact CD2-CG2 4.39Å; L6-I163 HydrophobicContact CD2-CD1 3.37Å |
| 7 | V | 96.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.1 | 176.2 | -174.8 | 0 | 0 | 0 | 0 | 109 | V9 L56 T58 Y71 G77 F78 L79 | V7-V9 HydrophobicContact CG1-CG1 3.84Å; V7-L56 HydrophobicContact CG1-CD2 4.42Å; V7-L56 HydrophobicContact CG2-CB 4.37Å; V7-T58 HydrophobicContact CG1-CG2 3.84Å; V7-Y71 HydrophobicContact CG1-CD2 3.9Å; V7-Y71 HydrophobicContact CG1-CE2 4.43Å; V7-G77 PolarHBondContact N-O 3.02Å; V7-F78 HydrophobicContact CB-CD1 3.73Å; V7-F78 HydrophobicContact CB-CE1 3.8Å; V7-F78 HydrophobicContact CG1-CD1 4.23Å; V7-F78 HydrophobicContact CG1-CE1 4.25Å; V7-F78 HydrophobicContact CG2-CD1 4.39Å; V7-F78 HydrophobicContact CG2-CE1 3.98Å; V7-F78 CarbonylContact O-C 3.58Å; V7-F78 WeakPolarHBondContact O-CA 3.45Å; V7-L79 PolarHBondContact O-N 2.95Å |
| 8 | V | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 113.4 | 177.6 | -167.3 | 0 | 0 | 0 | 0 | 108.6 | K16 I55 L56 T58 L79 V81 F156 | V8-K16 HydrophobicContact CB-CB 4.42Å; V8-K16 HydrophobicContact CG1-CB 3.65Å; V8-K16 HydrophobicContact CG1-CD 4.14Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; V8-I55 HydrophobicContact CG2-CG2 3.87Å; V8-L56 PolarHBondContact N-O 2.76Å; V8-T58 PolarHBondContact O-OG1 2.9Å; V8-L79 HydrophobicContact CG1-CB 4.26Å; V8-L79 HydrophobicContact CG2-CD1 4.33Å; V8-V81 HydrophobicContact CG1-CG2 3.57Å; V8-F156 HydrophobicContact CG2-CE1 4.02Å; V8-F156 HydrophobicContact CG2-CZ 4.26Å |
| 9 | V | 94.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 158.1 | -178.7 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | V7 K16 Y71 F78 L79 V81 Y96 I100 | V7-V9 HydrophobicContact CG1-CG1 3.84Å; V9-K16 VanDerWaalsContact C-CD 3.49Å; V9-Y71 HydrophobicContact CG1-CE2 4.47Å; V9-F78 HydrophobicContact CG1-CD1 4.49Å; V9-L79 WeakPolarHBondContact CG2-O 3.26Å; V9-L79 PolarHBondContact N-O 2.91Å; V9-L79 VanDerWaalsContact O-O 3.12Å; V9-V81 PolarHBondContact O-N 3.49Å; V9-Y96 HydrophobicContact CB-CD1 4.11Å; V9-Y96 HydrophobicContact CG2-CD1 4.43Å; V9-Y96 HydrophobicContact CG2-CG 4.49Å; V9-I100 HydrophobicContact CG2-CD1 4.1Å |
| 10 | G | 93.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | 146.1 | 168.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K16 G60 V81 Y96 | G10-K16 PolarHBondContact O-NZ 3.43Å; G10-G60 WeakPolarHBondContact O-CA 3.43Å; G10-V81 WeakPolarHBondContact CA-O 3.35Å; G10-Y96 VanDerWaalsContact C-CZ 3.42Å; G10-Y96 VanDerWaalsContact C-OH 3.23Å; G10-Y96 PolarHBondContact O-OH 2.79Å | ||
| 11 | A | 91.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 8% | 0.083 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -59.4 | 164.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V14 K16 Y96 | A11-V14 HydrophobicContact CB-CG1 3.9Å; A11-V14 VanDerWaalsContact O-CG2 3.26Å; A11-V14 WeakPolarHBondContact O-CG2 3.35Å; A11-K16 PolarHBondContact O-NZ 3.36Å; A11-K16 VanDerWaalsContact O-NZ 3.15Å; A11-Y96 WeakPolarHBondContact CA-OH 3.5Å; A11-Y96 PolarHBondContact N-OH 2.91Å |
| 12 | G | 89.9 | Confident | 94.3 | Very high | 35 Ų | 35 | 19.4 Ų | 19.4 | 36% | 0.361 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 137.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V14 G60 | G12-V14 VanDerWaalsContact C-N 3.28Å; G12-V14 PolarHBondContact O-N 2.77Å; G12-G60 PolarHBondContact N-O 2.88Å |
| 13 | G | 89.3 | Confident | 94.4 | Very high | 53 Ų | 53 | 17 Ų | 17 | 55% | 0.546 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | 6.2 | 173 | 0 | 0 | 0 | 0 | 0 | 116.4 | G15 K117 | G13-G15 PolarHBondContact O-N 2.82Å; G13-K117 WeakPolarHBondContact O-CE 3.48Å; G13-K117 PolarHBondContact O-NZ 3.38Å |
| 14 | V | 93.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -72.7 | -16.5 | 176.4 | -58 | 0 | 0 | 0 | 0 | 113.4 | A11 G12 K16 V81 A83 N116 K117 | A11-V14 HydrophobicContact CB-CG1 3.9Å; A11-V14 VanDerWaalsContact O-CG2 3.26Å; A11-V14 WeakPolarHBondContact O-CG2 3.35Å; G12-V14 VanDerWaalsContact C-N 3.28Å; G12-V14 PolarHBondContact O-N 2.77Å; V14-K16 HydrophobicContact CG2-CD 4.32Å; V14-K16 HydrophobicContact CG2-CG 3.59Å; V14-V81 HydrophobicContact CB-CG1 4.34Å; V14-V81 HydrophobicContact CG2-CB 4.05Å; V14-V81 HydrophobicContact CG2-CG1 3.84Å; V14-A83 HydrophobicContact CB-CB 4.31Å; V14-A83 HydrophobicContact CG1-CB 4.41Å; V14-N116 PolarHBondContact O-ND2 3.13Å; V14-K117 WeakPolarHBondContact O-CE 3.5Å |
| 15 | G | 93.6 | Very high | 93.8 | Very high | 16 Ų | 16 | 20.3 Ų | 20.3 | 17% | 0.165 | 13% | 0.129 | C | C | . | . | trans | 98.4 | 32.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G13 A18 L19 | G13-G15 PolarHBondContact O-N 2.82Å; G15-A18 PolarHBondContact O-N 3.33Å; G15-L19 WeakPolarHBondContact O-CG 3.42Å; G15-L19 PolarHBondContact O-N 2.81Å | ||
| 16 | K | 94.1 | Very high | 93.3 | Very high | 6 Ų | 6 | 20.2 Ų | 20.2 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.1 | -55.7 | 175.7 | -57.8 | -169.2 | -60.9 | -76.8 | 0 | 111.9 | V8 V9 G10 A11 V14 A18 L19 T20 D57 T58 V81 | V8-K16 HydrophobicContact CB-CB 4.42Å; V8-K16 HydrophobicContact CG1-CB 3.65Å; V8-K16 HydrophobicContact CG1-CD 4.14Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; V9-K16 VanDerWaalsContact C-CD 3.49Å; G10-K16 PolarHBondContact O-NZ 3.43Å; A11-K16 PolarHBondContact O-NZ 3.36Å; A11-K16 VanDerWaalsContact O-NZ 3.15Å; V14-K16 HydrophobicContact CG2-CD 4.32Å; V14-K16 HydrophobicContact CG2-CG 3.59Å; K16-A18 VanDerWaalsContact C-N 3.31Å; K16-A18 PolarHBondContact O-N 2.63Å; K16-L19 WeakPolarHBondContact O-CB 3.38Å; K16-L19 PolarHBondContact O-N 2.87Å; K16-L19 VanDerWaalsContact O-N 3.16Å; K16-T20 PolarHBondContact O-N 2.79Å; K16-T20 PolarHBondContact O-OG1 3.23Å; K16-D57 VanDerWaalsContact CB-OD1 3.26Å; K16-D57 WeakPolarHBondContact CB-OD1 3.27Å; K16-T58 WeakPolarHBondContact CE-O 3.22Å; K16-T58 PolarHBondContact NZ-O 2.78Å; K16-V81 HydrophobicContact CG-CB 4.26Å; K16-V81 HydrophobicContact CG-CG2 4.44Å |
| 17 | S | 92.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.1 | -40.1 | 176.6 | -36.5 | 0 | 0 | 0 | 0 | 112.1 | L19 T20 I21 Y32 T35 D57 | S17-L19 VanDerWaalsContact C-N 3.33Å; S17-L19 PolarHBondContact O-N 2.92Å; S17-T20 PolarHBondContact O-N 2.87Å; S17-I21 WeakPolarHBondContact O-CB 3.21Å; S17-I21 VanDerWaalsContact O-CG1 3.26Å; S17-I21 WeakPolarHBondContact O-CG1 3.28Å; S17-I21 PolarHBondContact O-N 2.92Å; S17-Y32 WeakPolarHBondContact OG-CE2 3.34Å; S17-Y32 PolarHBondContact OG-OH 3Å; S17-Y32 VanDerWaalsContact OG-OH 3.07Å; S17-T35 PolarHBondContact OG-OG1 3Å; S17-T35 VanDerWaalsContact OG-OG1 3.07Å; S17-D57 VanDerWaalsContact CA-OD2 3.22Å; S17-D57 WeakPolarHBondContact CA-OD2 3.32Å; S17-D57 WeakPolarHBondContact CB-OD2 3.27Å; S17-D57 PolarHBondContact N-OD1 3.22Å; S17-D57 PolarHBondContact OG-OD1 2.79Å; S17-D57 PolarHBondContact OG-OD2 3.24Å |
| 18 | A | 93.7 | Very high | 91.9 | Very high | 22 Ų | 22 | 27.7 Ų | 27.7 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.8 | -40.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G15 K16 Q22 F28 A146 | G15-A18 PolarHBondContact O-N 3.33Å; K16-A18 VanDerWaalsContact C-N 3.31Å; K16-A18 PolarHBondContact O-N 2.63Å; A18-Q22 WeakPolarHBondContact O-CB 3.42Å; A18-Q22 PolarHBondContact O-N 2.96Å; A18-F28 HydrophobicContact CB-CE2 4.18Å; A18-A146 HydrophobicContact CB-CB 3.65Å |
| 19 | L | 96 | Very high | 90.9 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.9 | -45.1 | 173.9 | -71.4 | 170.8 | 0 | 0 | 0 | 111.5 | G15 K16 S17 Q22 L23 V81 V114 N116 A146 V152 F156 | G15-L19 WeakPolarHBondContact O-CG 3.42Å; G15-L19 PolarHBondContact O-N 2.81Å; K16-L19 WeakPolarHBondContact O-CB 3.38Å; K16-L19 PolarHBondContact O-N 2.87Å; K16-L19 VanDerWaalsContact O-N 3.16Å; S17-L19 VanDerWaalsContact C-N 3.33Å; S17-L19 PolarHBondContact O-N 2.92Å; L19-Q22 PolarHBondContact O-N 3.25Å; L19-L23 PolarHBondContact O-N 3.5Å; L19-V81 HydrophobicContact CD1-CG1 3.89Å; L19-V81 HydrophobicContact CD1-CG2 4.2Å; L19-V114 HydrophobicContact CD1-CG1 4.06Å; L19-N116 HydrophobicContact CD1-CB 4.3Å; L19-A146 HydrophobicContact CD2-CB 3.9Å; L19-A146 HydrophobicContact CG-CB 4.2Å; L19-V152 HydrophobicContact CD2-CG2 3.81Å; L19-F156 HydrophobicContact CB-CE2 4.34Å |
| 20 | T | 94.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63 | -51.5 | 179.3 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | K16 S17 Q22 L23 I24 Y40 I55 | K16-T20 PolarHBondContact O-N 2.79Å; K16-T20 PolarHBondContact O-OG1 3.23Å; S17-T20 PolarHBondContact O-N 2.87Å; T20-Q22 VanDerWaalsContact C-N 3.32Å; T20-Q22 PolarHBondContact O-N 3.47Å; T20-L23 WeakPolarHBondContact O-CB 3.46Å; T20-L23 PolarHBondContact O-N 2.9Å; T20-L23 VanDerWaalsContact O-N 3.15Å; T20-I24 HydrophobicContact CG2-CG1 4.31Å; T20-I24 VanDerWaalsContact O-CG1 3.24Å; T20-I24 WeakPolarHBondContact O-CG1 3.36Å; T20-I24 PolarHBondContact O-N 2.92Å; T20-Y40 HydrophobicContact CG2-CD2 3.38Å; T20-Y40 HydrophobicContact CG2-CE2 3.87Å; T20-Y40 HydrophobicContact CG2-CG 3.88Å; T20-I55 HydrophobicContact CG2-CB 4.35Å; T20-I55 HydrophobicContact CG2-CG2 3.72Å |
| 21 | I | 92.8 | Very high | 88.5 | Confident | 29 Ų | 29 | 45.5 Ų | 45.5 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 178.6 | -66.3 | 166.2 | 0 | 0 | 0 | 110.6 | S17 L23 I24 Q25 V29 | S17-I21 WeakPolarHBondContact O-CB 3.21Å; S17-I21 VanDerWaalsContact O-CG1 3.26Å; S17-I21 WeakPolarHBondContact O-CG1 3.28Å; S17-I21 PolarHBondContact O-N 2.92Å; I21-L23 VanDerWaalsContact C-N 3.3Å; I21-L23 PolarHBondContact O-N 3.41Å; I21-I24 PolarHBondContact O-N 3.27Å; I21-I24 VanDerWaalsContact O-N 3.16Å; I21-Q25 HydrophobicContact CG2-CB 4.35Å; I21-Q25 HydrophobicContact CG2-CG 4.39Å; I21-Q25 WeakPolarHBondContact O-CB 3.4Å; I21-Q25 PolarHBondContact O-N 3.33Å; I21-V29 HydrophobicContact CG2-CG2 4.3Å |
| 22 | Q | 94.9 | Very high | 87 | Confident | 11 Ų | 11 | 50.6 Ų | 50.6 | 5% | 0.051 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 176.7 | -176 | 66.3 | -69.1 | 0 | 0 | 111.4 | A18 L19 T20 N26 H27 A146 R149 V152 | A18-Q22 WeakPolarHBondContact O-CB 3.42Å; A18-Q22 PolarHBondContact O-N 2.96Å; L19-Q22 PolarHBondContact O-N 3.25Å; T20-Q22 VanDerWaalsContact C-N 3.32Å; T20-Q22 PolarHBondContact O-N 3.47Å; Q22-N26 VanDerWaalsContact O-CA 3.3Å; Q22-N26 WeakPolarHBondContact O-CA 3.38Å; Q22-N26 PolarHBondContact O-N 3.25Å; Q22-N26 VanDerWaalsContact O-N 3.14Å; Q22-H27 WeakPolarHBondContact CA-O 3.37Å; Q22-H27 PolarHBondContact OE1-O 2.92Å; Q22-A146 WeakPolarHBondContact CG-O 3.4Å; Q22-A146 PolarHBondContact NE2-O 3.17Å; Q22-R149 HydrophobicContact CG-CB 4.15Å; Q22-R149 HydrophobicContact CG-CG 4.05Å; Q22-V152 HydrophobicContact CB-CG1 4.41Å; Q22-V152 HydrophobicContact CG-CG1 4.35Å; Q22-V152 HydrophobicContact CG-CG2 4.13Å |
| 23 | L | 94.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 172.8 | 179.2 | 67.3 | 0 | 0 | 0 | 111.5 | L19 T20 I21 K42 L53 I55 V152 E153 F156 | L19-L23 PolarHBondContact O-N 3.5Å; T20-L23 WeakPolarHBondContact O-CB 3.46Å; T20-L23 PolarHBondContact O-N 2.9Å; T20-L23 VanDerWaalsContact O-N 3.15Å; I21-L23 VanDerWaalsContact C-N 3.3Å; I21-L23 PolarHBondContact O-N 3.41Å; L23-K42 HydrophobicContact CG-CD 4.49Å; L23-K42 PolarHBondContact O-NZ 3.46Å; L23-L53 HydrophobicContact CD2-CD1 4.11Å; L23-I55 HydrophobicContact CD2-CD1 3.55Å; L23-V152 HydrophobicContact CB-CG1 4Å; L23-E153 HydrophobicContact CD1-CG 3.95Å; L23-F156 HydrophobicContact CB-CD2 4.25Å; L23-F156 HydrophobicContact CB-CE2 4.07Å; L23-F156 HydrophobicContact CD1-CD2 4.47Å; L23-F156 HydrophobicContact CD2-CB 3.93Å; L23-F156 HydrophobicContact CD2-CD1 3.83Å; L23-F156 HydrophobicContact CD2-CD2 3.48Å; L23-F156 VanDerWaalsContact CD2-CD2 3.48Å; L23-F156 HydrophobicContact CD2-CE1 4.16Å; L23-F156 HydrophobicContact CD2-CE2 3.85Å; L23-F156 HydrophobicContact CD2-CG 3.48Å; L23-F156 VanDerWaalsContact CD2-CG 3.48Å; L23-F156 HydrophobicContact CD2-CZ 4.19Å; L23-F156 HydrophobicContact CG-CD2 4.26Å |
| 24 | I | 92.4 | Very high | 84.7 | Confident | 36 Ų | 36 | 57.4 Ų | 57.4 | 19% | 0.185 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -74.7 | -50.5 | -172 | -60.4 | -67.4 | 0 | 0 | 0 | 112 | T20 I21 Y40 K42 I55 | T20-I24 HydrophobicContact CG2-CG1 4.31Å; T20-I24 VanDerWaalsContact O-CG1 3.24Å; T20-I24 WeakPolarHBondContact O-CG1 3.36Å; T20-I24 PolarHBondContact O-N 2.92Å; I21-I24 PolarHBondContact O-N 3.27Å; I21-I24 VanDerWaalsContact O-N 3.16Å; I24-Y40 HydrophobicContact CG1-CD1 4.41Å; I24-Y40 HydrophobicContact CG1-CG 4.29Å; I24-K42 HydrophobicContact CD1-CB 3.46Å; I24-K42 VanDerWaalsContact CD1-CB 3.46Å; I24-K42 HydrophobicContact CD1-CD 4.23Å; I24-K42 HydrophobicContact CD1-CG 4.38Å; I24-I55 HydrophobicContact CD1-CD1 4.21Å |
| 25 | Q | 88.8 | Confident | 83.2 | Confident | 115 Ų | 115 | 58.4 Ų | 58.4 | 54% | 0.537 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -104.2 | -7.9 | -167 | -59.5 | -176.7 | -1.9 | 0 | 0 | 113.3 | I21 H27 | I21-Q25 HydrophobicContact CG2-CB 4.35Å; I21-Q25 HydrophobicContact CG2-CG 4.39Å; I21-Q25 WeakPolarHBondContact O-CB 3.4Å; I21-Q25 PolarHBondContact O-N 3.33Å; Q25-H27 HydrophobicContact CB-CB 4.22Å; Q25-H27 PolarHBondContact O-N 3.32Å |
| 26 | N | 88.5 | Confident | 82 | Confident | 84 Ų | 84 | 64.8 Ų | 64.8 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 51.7 | 35.3 | -170 | -55.7 | -65.9 | 0 | 0 | 0 | 112.3 | Q22 R149 | Q22-N26 VanDerWaalsContact O-CA 3.3Å; Q22-N26 WeakPolarHBondContact O-CA 3.38Å; Q22-N26 PolarHBondContact O-N 3.25Å; Q22-N26 VanDerWaalsContact O-N 3.14Å; N26-R149 PolarHBondContact OD1-NH1 3.27Å; N26-R149 PolarHBondContact OD1-NH2 3Å; N26-R149 VanDerWaalsContact OD1-NH2 3.08Å |
| 27 | H | 83.8 | Confident | 80.8 | Confident | 107 Ų | 107 | 68.9 Ų | 68.9 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | trans | -133.5 | 144 | -179.1 | -174.1 | 53.8 | 0 | 0 | 0 | 109.9 | Q22 Q25 | Q22-H27 WeakPolarHBondContact CA-O 3.37Å; Q22-H27 PolarHBondContact OE1-O 2.92Å; Q25-H27 HydrophobicContact CB-CB 4.22Å; Q25-H27 PolarHBondContact O-N 3.32Å | ||
| 28 | F | 80.9 | Confident | 80.3 | Confident | 53 Ų | 53 | 72.4 Ų | 72.4 | 23% | 0.232 | 37% | 0.369 | C | S | . | . | trans | -109.9 | 124.9 | 173.4 | 177.7 | -106.5 | 0 | 0 | 0 | 108.7 | A18 D30 A146 K147 | A18-F28 HydrophobicContact CB-CE2 4.18Å; F28-D30 WeakPolarHBondContact CE1-OD1 3.42Å; F28-A146 HydrophobicContact CD2-CB 4.3Å; F28-A146 WeakPolarHBondContact CD2-O 3.47Å; F28-A146 HydrophobicContact CE2-CB 4.28Å; F28-K147 HydrophobicContact CD1-CB 4.45Å; F28-K147 HydrophobicContact CD1-CG 4.15Å; F28-K147 HydrophobicContact CD2-CB 4.41Å; F28-K147 HydrophobicContact CE1-CB 4.2Å; F28-K147 HydrophobicContact CE1-CD 4.44Å; F28-K147 HydrophobicContact CE1-CG 3.97Å; F28-K147 HydrophobicContact CE2-CB 4.21Å; F28-K147 HydrophobicContact CZ-CB 4.11Å; F28-K147 HydrophobicContact CZ-CG 4.35Å | ||
| 29 | V | 75 | Confident | 80.1 | Confident | 66 Ų | 66 | 74.8 Ų | 74.8 | 40% | 0.4 | 39% | 0.385 | S | S | . | . | trans | -102.1 | 116.5 | 179.4 | -170.9 | 0 | 0 | 0 | 0 | 108.2 | I21 E31 | I21-V29 HydrophobicContact CG2-CG2 4.3Å; V29-E31 WeakPolarHBondContact CG1-O 3.28Å | ||
| 30 | D | 70.3 | Confident | 79.9 | Confident | 134 Ų | 134 | 77 Ų | 77 | 72% | 0.717 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -73.2 | -33.2 | 179.4 | -92.1 | -47.1 | 0 | 0 | 0 | 112.5 | F28 | F28-D30 WeakPolarHBondContact CE1-OD1 3.42Š|
| 31 | E | 66.6 | Low | 79.9 | Confident | 176 Ų | 176 | 84 Ų | 84 | 82% | 0.822 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -90.4 | 119.8 | 177.5 | -70.1 | -177 | 180 | 0 | 0 | 110.5 | V29 | V29-E31 WeakPolarHBondContact CG1-O 3.28Š|
| 32 | Y | 61.6 | Low | 80 | Confident | 117 Ų | 117 | 84.8 Ų | 84.8 | 46% | 0.459 | 42% | 0.422 | S | S | . | . | trans | -115.7 | 119.5 | -174.8 | -177.2 | -103.1 | 0 | 0 | 0 | 111.2 | S17 T35 | S17-Y32 WeakPolarHBondContact OG-CE2 3.34Å; S17-Y32 PolarHBondContact OG-OH 3Å; S17-Y32 VanDerWaalsContact OG-OH 3.07Å; Y32-T35 WeakPolarHBondContact OH-CB 3.48Å; Y32-T35 PolarHBondContact OH-N 3.39Å; Y32-T35 PolarHBondContact OH-OG1 2.98Å | ||
| 33 | D | 64.4 | Low | 80.1 | Confident | 139 Ų | 139 | 90 Ų | 90 | 74% | 0.743 | 45% | 0.446 | S | S | * | . | trans | -86.7 | 126.3 | 163.4 | -162.2 | -5.4 | 0 | 0 | 0 | 108.1 | T35 | D33-T35 PolarHBondContact O-N 3.07Š| ||
| 34 | P | 65.8 | Low | 80.2 | Confident | 92 Ų | 92 | 90.5 Ų | 90.5 | 60% | 0.597 | 45% | 0.449 | S | S | * | . | trans | -50.7 | 110.9 | 177.6 | -29.6 | 36.4 | 0 | 0 | 0 | 113.7 | ||||
| 35 | T | 63.3 | Low | 80.4 | Confident | 20 Ų | 20 | 93 Ų | 93 | 12% | 0.123 | 47% | 0.466 | C | S | . | . | trans | -59 | 137.8 | 175.3 | -53.7 | 0 | 0 | 0 | 0 | 112 | S17 Y32 D33 D38 A59 | S17-T35 PolarHBondContact OG-OG1 3Å; S17-T35 VanDerWaalsContact OG-OG1 3.07Å; Y32-T35 WeakPolarHBondContact OH-CB 3.48Å; Y32-T35 PolarHBondContact OH-N 3.39Å; Y32-T35 PolarHBondContact OH-OG1 2.98Å; D33-T35 PolarHBondContact O-N 3.07Å; T35-D38 HydrophobicContact CG2-CB 4.38Å; T35-A59 WeakPolarHBondContact O-CB 3.38Å | ||
| 36 | I | 68.2 | Low | 80.8 | Confident | 151 Ų | 151 | 87.5 Ų | 87.5 | 77% | 0.774 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -87.1 | -66 | 169 | -61.7 | 173 | 0 | 0 | 0 | 108.7 | A59 | I36-A59 WeakPolarHBondContact O-CB 3.48Å; I36-A59 PolarHBondContact O-N 3.06Å |
| 37 | E | 68.3 | Low | 81.1 | Confident | 91 Ų | 91 | 88.5 Ų | 88.5 | 43% | 0.425 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 128.9 | 171.4 | -177 | -178 | 107.8 | 0 | 0 | 107 | L56 D57 | E37-L56 HydrophobicContact CG-CD1 3.72Å; E37-L56 HydrophobicContact CG-CG 4.26Å; E37-D57 WeakPolarHBondContact CA-O 3.36Å |
| 38 | D | 82.6 | Confident | 81.6 | Confident | 77 Ų | 77 | 86.8 Ų | 86.8 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 140.5 | 178 | -82.1 | -48.2 | 0 | 0 | 0 | 111.6 | T35 Y40 D57 | T35-D38 HydrophobicContact CG2-CB 4.38Å; D38-Y40 HydrophobicContact CB-CD2 4.36Å; D38-Y40 HydrophobicContact CB-CE2 3.52Å; D38-D57 PolarHBondContact N-O 2.89Å; D38-D57 VanDerWaalsContact N-O 3.11Å; D38-D57 PolarHBondContact O-N 2.87Å |
| 39 | S | 87.9 | Confident | 82.3 | Confident | 72 Ų | 72 | 87.8 Ų | 87.8 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.2 | 176.2 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | D54 I55 | S39-D54 PolarHBondContact OG-OD1 2.95Å; S39-I55 CarbonylContact C-O 3.27Å; S39-I55 WeakPolarHBondContact CA-O 3.5Å |
| 40 | Y | 92.4 | Very high | 83.4 | Confident | 46 Ų | 46 | 87.5 Ų | 87.5 | 18% | 0.18 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 142.2 | -179.7 | -59.5 | -88.7 | 0 | 0 | 0 | 111.1 | T20 I24 D38 I55 D57 | T20-Y40 HydrophobicContact CG2-CD2 3.38Å; T20-Y40 HydrophobicContact CG2-CE2 3.87Å; T20-Y40 HydrophobicContact CG2-CG 3.88Å; I24-Y40 HydrophobicContact CG1-CD1 4.41Å; I24-Y40 HydrophobicContact CG1-CG 4.29Å; D38-Y40 HydrophobicContact CB-CD2 4.36Å; D38-Y40 HydrophobicContact CB-CE2 3.52Å; Y40-I55 PolarHBondContact N-O 3.3Å; Y40-I55 PolarHBondContact O-N 3.44Å; Y40-D57 HydrophobicContact CE2-CB 4.13Å |
| 41 | R | 94.7 | Very high | 84.6 | Confident | 149 Ų | 149 | 81.1 Ų | 81.1 | 56% | 0.562 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.5 | 178.6 | -68.1 | 179.1 | 174.3 | -155.3 | -14.8 | 111.7 | E3 L52 L53 D54 | E3-R41 IonicContact OE1-CZ 3.7Å; E3-R41 IonicContact OE1-NH2 2.82Å; E3-R41 PolarHBondContact OE1-NH2 3.35Å; R41-L52 HydrophobicContact CB-CD1 4.35Å; R41-L53 VanDerWaalsContact CA-O 3.25Å; R41-L53 WeakPolarHBondContact CA-O 3.37Å; R41-D54 HydrophobicContact CG-CB 4.46Å; R41-D54 WeakPolarHBondContact CG-OD1 3.1Å; R41-D54 IonicContact CZ-OD1 3.25Å; R41-D54 IonicContact CZ-OD2 3.91Å; R41-D54 IonicContact NE-OD1 3.48Å; R41-D54 PolarHBondContact NE-OD1 2.93Å; R41-D54 IonicContact NE-OD2 2.77Å; R41-D54 IonicContact NH2-OD1 2.81Å; R41-D54 IonicContact NH2-OD2 3.72Å; R41-D54 PolarHBondContact NH2-OD2 3.08Å |
| 42 | K | 94.4 | Very high | 86.1 | Confident | 44 Ų | 44 | 74.5 Ų | 74.5 | 19% | 0.191 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 129.3 | 175 | -173.2 | -176.7 | -172.4 | -179.1 | 0 | 111.5 | L23 I24 V44 L53 | L23-K42 HydrophobicContact CG-CD 4.49Å; L23-K42 PolarHBondContact O-NZ 3.46Å; I24-K42 HydrophobicContact CD1-CB 3.46Å; I24-K42 VanDerWaalsContact CD1-CB 3.46Å; I24-K42 HydrophobicContact CD1-CD 4.23Å; I24-K42 HydrophobicContact CD1-CG 4.38Å; K42-V44 HydrophobicContact CD-CG1 3.77Å; K42-V44 HydrophobicContact CG-CG1 3.81Å; K42-L53 PolarHBondContact N-O 3Å; K42-L53 PolarHBondContact O-N 3.18Å |
| 43 | Q | 96.9 | Very high | 87.9 | Confident | 121 Ų | 121 | 68.9 Ų | 68.9 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 128.9 | 168.8 | -173.7 | 176.6 | 2.7 | 0 | 0 | 109.4 | M1 T50 C51 | M1-Q43 HydrophobicContact CE-CB 4.22Å; M1-Q43 HydrophobicContact CE-CG 3.8Å; M1-Q43 HydrophobicContact SD-CG 3.94Å; M1-Q43 PolarHBondContact SD-NE2 3.2Å; M1-Q43 VanDerWaalsContact SD-NE2 3.36Å; Q43-T50 HydrophobicContact CG-CG2 3.9Å; Q43-C51 WeakPolarHBondContact CA-O 3.25Å |
| 44 | V | 96.5 | Very high | 89.4 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 164.3 | -178.8 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | K42 I46 T50 C51 L53 Y157 | K42-V44 HydrophobicContact CD-CG1 3.77Å; K42-V44 HydrophobicContact CG-CG1 3.81Å; V44-I46 HydrophobicContact CG2-CD1 3.73Å; V44-I46 HydrophobicContact CG2-CG1 3.79Å; V44-T50 WeakPolarHBondContact O-CA 3.49Å; V44-C51 PolarHBondContact N-O 2.7Å; V44-C51 PolarHBondContact O-N 2.96Å; V44-L53 HydrophobicContact CG1-CD1 4.32Å; V44-L53 HydrophobicContact CG2-CD1 3.84Å; V44-L53 HydrophobicContact CG2-CD2 4.03Å; V44-L53 HydrophobicContact CG2-CG 3.71Å; V44-Y157 HydrophobicContact CB-CE1 4.41Å; V44-Y157 HydrophobicContact CG1-CE1 4.42Å; V44-Y157 HydrophobicContact CG2-CE1 4.28Å |
| 45 | V | 96.9 | Very high | 90.9 | Very high | 88 Ų | 88 | 59 Ų | 59 | 53% | 0.533 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 114.6 | 171.5 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | E49 | V45-E49 WeakPolarHBondContact CA-O 3.45Å |
| 46 | I | 96.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 115.2 | -179.7 | -58.5 | 171.6 | 0 | 0 | 0 | 108.3 | V44 G48 E49 L53 Y157 V160 R164 | V44-I46 HydrophobicContact CG2-CD1 3.73Å; V44-I46 HydrophobicContact CG2-CG1 3.79Å; I46-G48 VanDerWaalsContact C-N 3.27Å; I46-G48 PolarHBondContact O-N 3.26Å; I46-E49 PolarHBondContact N-O 3.49Å; I46-E49 PolarHBondContact O-N 3.07Å; I46-L53 HydrophobicContact CD1-CD2 4.19Å; I46-Y157 HydrophobicContact CD1-CD1 3.43Å; I46-Y157 VanDerWaalsContact CD1-CD1 3.43Å; I46-Y157 HydrophobicContact CD1-CE1 3.88Å; I46-Y157 HydrophobicContact CD1-CG 3.92Å; I46-Y157 HydrophobicContact CG1-CD1 3.72Å; I46-Y157 HydrophobicContact CG1-CD2 4.21Å; I46-Y157 HydrophobicContact CG1-CE1 3.93Å; I46-Y157 HydrophobicContact CG1-CE2 4.38Å; I46-Y157 HydrophobicContact CG1-CG 3.88Å; I46-Y157 HydrophobicContact CG2-CG 4.36Å; I46-V160 HydrophobicContact CD1-CB 3.86Å; I46-V160 HydrophobicContact CD1-CG1 3.88Å; I46-V160 HydrophobicContact CD1-CG2 3.74Å; I46-V160 HydrophobicContact CG2-CG1 4.49Å; I46-R164 PolarHBondContact O-NH1 2.84Å; I46-R164 PolarHBondContact O-NH2 3.45Å |
| 47 | D | 95.7 | Very high | 93.3 | Very high | 104 Ų | 104 | 52 Ų | 52 | 56% | 0.556 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 38.8 | -177.9 | -48.8 | -37.1 | 0 | 0 | 0 | 112.9 | E49 R161 R164 | D47-E49 VanDerWaalsContact C-N 3.29Å; D47-E49 PolarHBondContact O-N 3.38Å; D47-R161 IonicContact OD1-CZ 3.88Å; D47-R161 IonicContact OD1-NE 2.82Å; D47-R161 PolarHBondContact OD1-NE 3.28Å; D47-R161 IonicContact OD1-NH2 2.76Å; D47-R161 PolarHBondContact OD1-NH2 3.39Å; D47-R161 WeakPolarHBondContact OD2-CG 3.3Å; D47-R161 IonicContact OD2-CZ 3.77Å; D47-R161 IonicContact OD2-NE 3.39Å; D47-R161 PolarHBondContact OD2-NE 3.3Å; D47-R161 IonicContact OD2-NH2 3.28Å; D47-R164 IonicContact OD2-NH1 3.87Å |
| 48 | G | 94.9 | Very high | 94.1 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 74% | 0.742 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | -5.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | I46 | I46-G48 VanDerWaalsContact C-N 3.27Å; I46-G48 PolarHBondContact O-N 3.26Å |
| 49 | E | 95.6 | Very high | 93.9 | Very high | 73 Ų | 73 | 44.8 Ų | 44.8 | 34% | 0.341 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.8 | 175.8 | -173 | -165.9 | 169.7 | 0 | 0 | 111.1 | T2 V45 I46 D47 R164 | T2-E49 PolarHBondContact OG1-OE1 3.01Å; V45-E49 WeakPolarHBondContact CA-O 3.45Å; I46-E49 PolarHBondContact N-O 3.49Å; I46-E49 PolarHBondContact O-N 3.07Å; D47-E49 VanDerWaalsContact C-N 3.29Å; D47-E49 PolarHBondContact O-N 3.38Å; E49-R164 IonicContact OE2-CZ 3.6Å; E49-R164 VanDerWaalsContact OE2-CZ 3.28Å; E49-R164 IonicContact OE2-NE 2.85Å; E49-R164 PolarHBondContact OE2-NE 3.33Å; E49-R164 IonicContact OE2-NH2 3.63Å; E49-R164 PolarHBondContact OE2-NH2 3.31Å |
| 50 | T | 96.9 | Very high | 92.6 | Very high | 61 Ų | 61 | 42.2 Ų | 42.2 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 122.1 | 174.4 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | M1 Q43 V44 | M1-T50 HydrophobicContact SD-CG2 4.01Å; Q43-T50 HydrophobicContact CG-CG2 3.9Å; V44-T50 WeakPolarHBondContact O-CA 3.49Å |
| 51 | C | 97 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 160.9 | 179.1 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | T2 Y4 Q43 V44 | T2-C51 CarbonylContact O-C 3.57Å; T2-C51 WeakPolarHBondContact O-CA 3.49Å; T2-C51 VanDerWaalsContact O-CB 3.28Å; T2-C51 WeakPolarHBondContact O-CB 3.24Å; Y4-C51 HydrophobicContact CD2-CB 3.78Å; Y4-C51 HydrophobicContact CE2-CB 3.58Å; Q43-C51 WeakPolarHBondContact CA-O 3.25Å; V44-C51 PolarHBondContact N-O 2.7Å; V44-C51 PolarHBondContact O-N 2.96Å |
| 52 | L | 97.8 | Very high | 89.5 | Confident | 36 Ų | 36 | 42.5 Ų | 42.5 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 126.4 | 169.7 | -167.2 | 59.7 | 0 | 0 | 0 | 109.1 | M1 T2 E3 Y4 R41 | M1-L52 HydrophobicContact CE-CB 3.53Å; M1-L52 HydrophobicContact CE-CD1 3.88Å; M1-L52 HydrophobicContact CE-CD2 4.46Å; M1-L52 HydrophobicContact CE-CG 4.15Å; T2-L52 PolarHBondContact O-N 3.4Å; E3-L52 CarbonylContact C-O 3.6Å; E3-L52 WeakPolarHBondContact CA-O 3.46Å; E3-L52 HydrophobicContact CB-CB 4.27Å; E3-L52 HydrophobicContact CG-CB 4.24Å; E3-L52 HydrophobicContact CG-CD2 4.23Å; E3-L52 HydrophobicContact CG-CG 4.47Å; Y4-L52 PolarHBondContact N-O 3.4Å; R41-L52 HydrophobicContact CB-CD1 4.35Å |
| 53 | L | 97.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 125.1 | 164.9 | -50.3 | -174.9 | 0 | 0 | 0 | 107.9 | Y4 L6 L23 R41 K42 V44 I46 I55 Y157 V160 | Y4-L53 HydrophobicContact CD2-CD2 4.4Å; L6-L53 HydrophobicContact CD1-CD1 4.45Å; L6-L53 HydrophobicContact CD1-CD2 4.23Å; L23-L53 HydrophobicContact CD2-CD1 4.11Å; R41-L53 VanDerWaalsContact CA-O 3.25Å; R41-L53 WeakPolarHBondContact CA-O 3.37Å; K42-L53 PolarHBondContact N-O 3Å; K42-L53 PolarHBondContact O-N 3.18Å; V44-L53 HydrophobicContact CG1-CD1 4.32Å; V44-L53 HydrophobicContact CG2-CD1 3.84Å; V44-L53 HydrophobicContact CG2-CD2 4.03Å; V44-L53 HydrophobicContact CG2-CG 3.71Å; I46-L53 HydrophobicContact CD1-CD2 4.19Å; L53-I55 HydrophobicContact CB-CD1 4.14Å; L53-I55 HydrophobicContact CB-CG1 4.05Å; L53-I55 HydrophobicContact CD1-CD1 4.42Å; L53-Y157 HydrophobicContact CD1-CE1 4.47Å; L53-V160 HydrophobicContact CD2-CG2 3.65Å |
| 54 | D | 97.1 | Very high | 85.6 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 97.8 | 168.9 | -166.4 | 12.8 | 0 | 0 | 0 | 107.1 | E3 Y4 K5 L6 S39 R41 | E3-D54 HydrophobicContact CG-CB 4.32Å; Y4-D54 PolarHBondContact O-N 3.42Å; K5-D54 CarbonylContact C-O 3.55Å; K5-D54 WeakPolarHBondContact CA-O 3.39Å; K5-D54 HydrophobicContact CG-CB 4.35Å; L6-D54 PolarHBondContact N-O 3.22Å; S39-D54 PolarHBondContact OG-OD1 2.95Å; R41-D54 HydrophobicContact CG-CB 4.46Å; R41-D54 WeakPolarHBondContact CG-OD1 3.1Å; R41-D54 IonicContact CZ-OD1 3.25Å; R41-D54 IonicContact CZ-OD2 3.91Å; R41-D54 IonicContact NE-OD1 3.48Å; R41-D54 PolarHBondContact NE-OD1 2.93Å; R41-D54 IonicContact NE-OD2 2.77Å; R41-D54 IonicContact NH2-OD1 2.81Å; R41-D54 IonicContact NH2-OD2 3.72Å; R41-D54 PolarHBondContact NH2-OD2 3.08Å |
| 55 | I | 96.6 | Very high | 84 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121.8 | -170 | -59 | 166.6 | 0 | 0 | 0 | 108.7 | L6 V8 T20 L23 I24 S39 Y40 L53 F156 | L6-I55 HydrophobicContact CB-CG1 4.28Å; L6-I55 HydrophobicContact CD1-CG1 4.29Å; L6-I55 CarbonylContact O-C 3.58Å; L6-I55 WeakPolarHBondContact O-CA 3.35Å; V8-I55 HydrophobicContact CG2-CG2 3.87Å; T20-I55 HydrophobicContact CG2-CB 4.35Å; T20-I55 HydrophobicContact CG2-CG2 3.72Å; L23-I55 HydrophobicContact CD2-CD1 3.55Å; I24-I55 HydrophobicContact CD1-CD1 4.21Å; S39-I55 CarbonylContact C-O 3.27Å; S39-I55 WeakPolarHBondContact CA-O 3.5Å; Y40-I55 PolarHBondContact N-O 3.3Å; Y40-I55 PolarHBondContact O-N 3.44Å; L53-I55 HydrophobicContact CB-CD1 4.14Å; L53-I55 HydrophobicContact CB-CG1 4.05Å; L53-I55 HydrophobicContact CD1-CD1 4.42Å; I55-F156 HydrophobicContact CD1-CD1 3.98Å; I55-F156 HydrophobicContact CD1-CE1 3.81Å; I55-F156 HydrophobicContact CG1-CD1 4.45Å; I55-F156 HydrophobicContact CG1-CE1 4.26Å; I55-F156 HydrophobicContact CG2-CE1 3.99Å |
| 56 | L | 93.9 | Very high | 82.4 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.8 | 169.9 | -168.4 | 74.4 | 0 | 0 | 0 | 110.2 | L6 V7 V8 E37 T58 Y71 | L6-L56 PolarHBondContact O-N 3.14Å; V7-L56 HydrophobicContact CG1-CD2 4.42Å; V7-L56 HydrophobicContact CG2-CB 4.37Å; V8-L56 PolarHBondContact N-O 2.76Å; E37-L56 HydrophobicContact CG-CD1 3.72Å; E37-L56 HydrophobicContact CG-CG 4.26Å; L56-T58 HydrophobicContact CD2-CG2 4.36Å; L56-Y71 HydrophobicContact CD2-CD1 4.09Å; L56-Y71 HydrophobicContact CD2-CG 3.76Å |
| 57 | D | 89.3 | Confident | 81 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 120.1 | 171.1 | -176.6 | 42 | 0 | 0 | 0 | 109.7 | K16 S17 E37 D38 Y40 | K16-D57 VanDerWaalsContact CB-OD1 3.26Å; K16-D57 WeakPolarHBondContact CB-OD1 3.27Å; S17-D57 VanDerWaalsContact CA-OD2 3.22Å; S17-D57 WeakPolarHBondContact CA-OD2 3.32Å; S17-D57 WeakPolarHBondContact CB-OD2 3.27Å; S17-D57 PolarHBondContact N-OD1 3.22Å; S17-D57 PolarHBondContact OG-OD1 2.79Å; S17-D57 PolarHBondContact OG-OD2 3.24Å; E37-D57 WeakPolarHBondContact CA-O 3.36Å; D38-D57 PolarHBondContact N-O 2.89Å; D38-D57 VanDerWaalsContact N-O 3.11Å; D38-D57 PolarHBondContact O-N 2.87Å; Y40-D57 HydrophobicContact CE2-CB 4.13Å |
| 58 | T | 84.8 | Confident | 80 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 150.2 | -175.1 | 79 | 0 | 0 | 0 | 0 | 111.7 | V7 V8 K16 L56 G60 Y71 | V7-T58 HydrophobicContact CG1-CG2 3.84Å; V8-T58 PolarHBondContact O-OG1 2.9Å; K16-T58 WeakPolarHBondContact CE-O 3.22Å; K16-T58 PolarHBondContact NZ-O 2.78Å; L56-T58 HydrophobicContact CD2-CG2 4.36Å; T58-G60 PolarHBondContact O-N 3.16Å; T58-Y71 HydrophobicContact CG2-CD1 4.34Å; T58-Y71 HydrophobicContact CG2-CD2 4.22Å; T58-Y71 HydrophobicContact CG2-CE1 4.02Å; T58-Y71 HydrophobicContact CG2-CE2 3.96Å; T58-Y71 HydrophobicContact CG2-CG 4.43Å |
| 59 | A | 77.2 | Confident | 79.4 | Confident | 14 Ų | 14 | 58 Ų | 58 | 12% | 0.116 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 138.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | T35 I36 E62 | T35-A59 WeakPolarHBondContact O-CB 3.38Å; I36-A59 WeakPolarHBondContact O-CB 3.48Å; I36-A59 PolarHBondContact O-N 3.06Å; A59-E62 HydrophobicContact CB-CG 3.96Å |
| 60 | G | 61.8 | Low | 78.9 | Confident | 18 Ų | 18 | 61 Ų | 61 | 19% | 0.186 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -83.3 | -1.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G10 G12 T58 | G10-G60 WeakPolarHBondContact O-CA 3.43Å; G12-G60 PolarHBondContact N-O 2.88Å; T58-G60 PolarHBondContact O-N 3.16Å |
| 61 | Q | 61.2 | Low | 78.3 | Confident | 155 Ų | 155 | 58.4 Ų | 58.4 | 72% | 0.724 | 30% | 0.302 | S | S | * | . | trans | -123.6 | 109.4 | 175.8 | -68.8 | -176.3 | -3.3 | 0 | 0 | 106.3 | ||||
| 62 | E | 59.9 | Low | 77.8 | Confident | 45 Ų | 45 | 58.4 Ų | 58.4 | 21% | 0.21 | 30% | 0.302 | C | S | . | . | trans | -139.7 | 104.1 | -178.8 | -81.8 | -179.7 | -170.5 | 0 | 0 | 109.5 | A59 R68 Y71 | A59-E62 HydrophobicContact CB-CG 3.96Å; E62-R68 PolarHBondContact O-NH2 2.94Å; E62-R68 IonicContact OE2-CZ 3.18Å; E62-R68 IonicContact OE2-NE 3.82Å; E62-R68 PolarHBondContact OE2-NE 3.39Å; E62-R68 VanDerWaalsContact OE2-NE 3.14Å; E62-R68 IonicContact OE2-NH2 3.95Å; E62-Y71 PolarHBondContact OE1-OH 3.39Å; E62-Y71 PolarHBondContact OE2-OH 3.09Å | ||
| 63 | E | 51.4 | Low | 77.5 | Confident | 178 Ų | 178 | 64.8 Ų | 64.8 | 83% | 0.832 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -79.2 | -1.5 | 174.4 | -69.7 | 151.4 | 173 | 0 | 0 | 112 | ||
| 64 | Y | 57.9 | Low | 77.2 | Confident | 180 Ų | 180 | 68.6 Ų | 68.6 | 71% | 0.706 | 35% | 0.347 | S | S | * | . | trans | -123.8 | 107.2 | -177.3 | -74.1 | -82.6 | 0 | 0 | 0 | 113.3 | A66 | Y64-A66 PolarHBondContact O-N 2.8Š| ||
| 65 | S | 63 | Low | 77.1 | Confident | 94 Ų | 94 | 67.6 Ų | 67.6 | 66% | 0.657 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -70.5 | -25.7 | -176.1 | 53.3 | 0 | 0 | 0 | 0 | 115.4 | R68 D69 | S65-R68 WeakPolarHBondContact O-CB 3.49Å; S65-R68 PolarHBondContact O-N 3.22Å; S65-D69 PolarHBondContact O-N 3.3Å |
| 66 | A | 64.3 | Low | 77.1 | Confident | 78 Ų | 78 | 70.5 Ų | 70.5 | 65% | 0.645 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -72.5 | -36 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y64 R68 | Y64-A66 PolarHBondContact O-N 2.8Å; A66-R68 VanDerWaalsContact C-N 3.32Å |
| 67 | M | 67.9 | Low | 77.3 | Confident | 128 Ų | 128 | 69.3 Ų | 69.3 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -70.7 | -33.5 | 175.9 | -71.4 | -177.6 | 134.4 | 0 | 0 | 111.2 | D69 Q70 Y71 | M67-D69 PolarHBondContact O-N 2.67Å; M67-Q70 WeakPolarHBondContact O-CB 3.34Å; M67-Q70 PolarHBondContact O-N 3.18Å; M67-Q70 VanDerWaalsContact O-N 3.13Å; M67-Y71 WeakPolarHBondContact O-CD1 3.26Å |
| 68 | R | 74.2 | Confident | 77.7 | Confident | 39 Ų | 39 | 69.3 Ų | 69.3 | 15% | 0.147 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.3 | -46.8 | 175.9 | -178.8 | 171.2 | -51.4 | 172.5 | 15.9 | 113.6 | E62 S65 A66 Q70 Y71 M72 Q99 | E62-R68 PolarHBondContact O-NH2 2.94Å; E62-R68 IonicContact OE2-CZ 3.18Å; E62-R68 IonicContact OE2-NE 3.82Å; E62-R68 PolarHBondContact OE2-NE 3.39Å; E62-R68 VanDerWaalsContact OE2-NE 3.14Å; E62-R68 IonicContact OE2-NH2 3.95Å; S65-R68 WeakPolarHBondContact O-CB 3.49Å; S65-R68 PolarHBondContact O-N 3.22Å; A66-R68 VanDerWaalsContact C-N 3.32Å; R68-Q70 PolarHBondContact O-N 2.85Å; R68-Y71 VanDerWaalsContact CA-CE1 3.45Å; R68-Y71 VanDerWaalsContact CA-CZ 3.47Å; R68-Y71 HydrophobicContact CB-CE1 4.29Å; R68-Y71 HydrophobicContact CG-CE2 4.03Å; R68-Y71 VanDerWaalsContact CG-OH 3.31Å; R68-Y71 WeakPolarHBondContact CG-OH 3.47Å; R68-Y71 WeakPolarHBondContact O-CD2 3.34Å; R68-Y71 WeakPolarHBondContact O-CE2 3.11Å; R68-M72 HydrophobicContact CG-CE 3.56Å; R68-M72 HydrophobicContact CG-SD 3.96Å; R68-M72 WeakPolarHBondContact O-CG 3.41Å; R68-M72 PolarHBondContact O-N 2.82Å; R68-Q99 VanDerWaalsContact CD-OE1 3.29Å |
| 69 | D | 82.4 | Confident | 78.4 | Confident | 69 Ų | 69 | 69.2 Ų | 69.2 | 37% | 0.369 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.9 | -28 | -179.8 | -72.7 | 1 | 0 | 0 | 0 | 112.1 | S65 M67 R73 V103 | S65-D69 PolarHBondContact O-N 3.3Å; M67-D69 PolarHBondContact O-N 2.67Å; D69-R73 VanDerWaalsContact O-CB 3.24Å; D69-R73 WeakPolarHBondContact O-CB 3.48Å; D69-R73 PolarHBondContact O-N 2.87Å; D69-V103 HydrophobicContact CB-CG2 4.34Å; D69-V103 WeakPolarHBondContact O-CG1 3.25Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.33Å |
| 70 | Q | 83.9 | Confident | 79.4 | Confident | 136 Ų | 136 | 68.6 Ų | 68.6 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -68.5 | -52 | -178.3 | -177.1 | 176.2 | -35.5 | 0 | 0 | 111.7 | M67 R68 R73 T74 | M67-Q70 WeakPolarHBondContact O-CB 3.34Å; M67-Q70 PolarHBondContact O-N 3.18Å; M67-Q70 VanDerWaalsContact O-N 3.13Å; R68-Q70 PolarHBondContact O-N 2.85Å; Q70-R73 WeakPolarHBondContact O-CB 3.08Å; Q70-R73 PolarHBondContact O-N 3.47Å; Q70-T74 PolarHBondContact O-N 3.43Å; Q70-T74 VanDerWaalsContact O-N 3.13Å; Q70-T74 PolarHBondContact O-OG1 3.23Å |
| 71 | Y | 83.9 | Confident | 81.1 | Confident | 7 Ų | 7 | 67.7 Ų | 67.7 | 3% | 0.027 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.4 | -33.2 | -180 | 57.2 | -116.1 | 0 | 0 | 0 | 112.8 | V7 V9 L56 T58 E62 M67 R68 R73 T74 G75 | V7-Y71 HydrophobicContact CG1-CD2 3.9Å; V7-Y71 HydrophobicContact CG1-CE2 4.43Å; V9-Y71 HydrophobicContact CG1-CE2 4.47Å; L56-Y71 HydrophobicContact CD2-CD1 4.09Å; L56-Y71 HydrophobicContact CD2-CG 3.76Å; T58-Y71 HydrophobicContact CG2-CD1 4.34Å; T58-Y71 HydrophobicContact CG2-CD2 4.22Å; T58-Y71 HydrophobicContact CG2-CE1 4.02Å; T58-Y71 HydrophobicContact CG2-CE2 3.96Å; T58-Y71 HydrophobicContact CG2-CG 4.43Å; E62-Y71 PolarHBondContact OE1-OH 3.39Å; E62-Y71 PolarHBondContact OE2-OH 3.09Å; M67-Y71 WeakPolarHBondContact O-CD1 3.26Å; R68-Y71 VanDerWaalsContact CA-CE1 3.45Å; R68-Y71 VanDerWaalsContact CA-CZ 3.47Å; R68-Y71 HydrophobicContact CB-CE1 4.29Å; R68-Y71 HydrophobicContact CG-CE2 4.03Å; R68-Y71 VanDerWaalsContact CG-OH 3.31Å; R68-Y71 WeakPolarHBondContact CG-OH 3.47Å; R68-Y71 WeakPolarHBondContact O-CD2 3.34Å; R68-Y71 WeakPolarHBondContact O-CE2 3.11Å; Y71-R73 PolarHBondContact O-N 3.07Å; Y71-T74 PolarHBondContact O-N 3.42Å; Y71-T74 PolarHBondContact O-OG1 3.3Å; Y71-G75 PolarHBondContact O-N 3.4Å |
| 72 | M | 88 | Confident | 82.8 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.1 | -33.6 | 173 | -72.1 | -175.9 | -179.8 | 0 | 0 | 111 | R68 F78 Q99 I100 V103 K104 | R68-M72 HydrophobicContact CG-CE 3.56Å; R68-M72 HydrophobicContact CG-SD 3.96Å; R68-M72 WeakPolarHBondContact O-CG 3.41Å; R68-M72 PolarHBondContact O-N 2.82Å; M72-F78 HydrophobicContact CB-CE1 4.46Å; M72-F78 HydrophobicContact CG-CE1 4.31Å; M72-F78 WeakPolarHBondContact O-CZ 3.09Å; M72-Q99 HydrophobicContact CE-CB 3.92Å; M72-Q99 HydrophobicContact SD-CB 4.01Å; M72-I100 HydrophobicContact CE-CG1 4.21Å; M72-I100 HydrophobicContact CG-CG1 4.44Å; M72-I100 HydrophobicContact SD-CG1 4.25Å; M72-V103 HydrophobicContact CB-CB 3.85Å; M72-V103 HydrophobicContact CB-CG1 3.63Å; M72-V103 HydrophobicContact CB-CG2 4.15Å; M72-V103 HydrophobicContact SD-CB 4.48Å; M72-V103 HydrophobicContact SD-CG2 4.01Å; M72-K104 WeakPolarHBondContact O-CD 3.41Å; M72-K104 WeakPolarHBondContact O-CE 3.45Å; M72-K104 PolarHBondContact O-NZ 2.89Å |
| 73 | R | 91.2 | Very high | 84.6 | Confident | 170 Ų | 170 | 58.2 Ų | 58.2 | 64% | 0.642 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -71.8 | -38.5 | 176.6 | -164.6 | 177.7 | -55.5 | -157.7 | 0.9 | 112.6 | D69 Q70 Y71 V103 K104 | D69-R73 VanDerWaalsContact O-CB 3.24Å; D69-R73 WeakPolarHBondContact O-CB 3.48Å; D69-R73 PolarHBondContact O-N 2.87Å; Q70-R73 WeakPolarHBondContact O-CB 3.08Å; Q70-R73 PolarHBondContact O-N 3.47Å; Y71-R73 PolarHBondContact O-N 3.07Å; R73-V103 HydrophobicContact CB-CG1 4.04Å; R73-K104 PolarHBondContact O-NZ 2.94Å |
| 74 | T | 90.7 | Very high | 86.7 | Confident | 80 Ų | 80 | 50.1 Ų | 50.1 | 49% | 0.491 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -87.1 | -24.7 | -175.9 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | Q70 Y71 | Q70-T74 PolarHBondContact O-N 3.43Å; Q70-T74 VanDerWaalsContact O-N 3.13Å; Q70-T74 PolarHBondContact O-OG1 3.23Å; Y71-T74 PolarHBondContact O-N 3.42Å; Y71-T74 PolarHBondContact O-OG1 3.3Å |
| 75 | G | 95.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | trans | -66.5 | 132 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y71 K104 | Y71-G75 PolarHBondContact O-N 3.4Å; G75-K104 WeakPolarHBondContact O-CE 3.48Å; G75-K104 PolarHBondContact O-NZ 2.88Å | ||
| 76 | E | 97.4 | Very high | 90 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 29% | 0.285 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -82.3 | -26.6 | 176.9 | -65.3 | -169.5 | 148.6 | 0 | 0 | 112.8 | K5 I163 K167 | K5-E76 HydrophobicContact CB-CG 4.22Å; K5-E76 PolarHBondContact O-N 2.93Å; E76-I163 HydrophobicContact CB-CD1 4Å; E76-I163 HydrophobicContact CB-CG1 4.38Å; E76-I163 HydrophobicContact CB-CG2 4.15Å; E76-K167 WeakPolarHBondContact OE1-CE 3.49Å; E76-K167 IonicContact OE1-NZ 3.71Å; E76-K167 PolarHBondContact OE1-NZ 3.35Å; E76-K167 IonicContact OE2-NZ 3.43Å; E76-K167 PolarHBondContact OE2-NZ 3.07Å |
| 77 | G | 97.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 160 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K5 V7 P110 | K5-G77 PolarHBondContact O-N 3.28Å; V7-G77 PolarHBondContact N-O 3.02Å; G77-P110 VanDerWaalsContact CA-O 3.23Å; G77-P110 WeakPolarHBondContact CA-O 3.03Å |
| 78 | F | 98.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.7 | -168.7 | -58.3 | -92.9 | 0 | 0 | 0 | 112.5 | V7 V9 M72 I100 V109 P110 M111 V112 | V7-F78 HydrophobicContact CB-CD1 3.73Å; V7-F78 HydrophobicContact CB-CE1 3.8Å; V7-F78 HydrophobicContact CG1-CD1 4.23Å; V7-F78 HydrophobicContact CG1-CE1 4.25Å; V7-F78 HydrophobicContact CG2-CD1 4.39Å; V7-F78 HydrophobicContact CG2-CE1 3.98Å; V7-F78 CarbonylContact O-C 3.58Å; V7-F78 WeakPolarHBondContact O-CA 3.45Å; V9-F78 HydrophobicContact CG1-CD1 4.49Å; M72-F78 HydrophobicContact CB-CE1 4.46Å; M72-F78 HydrophobicContact CG-CE1 4.31Å; M72-F78 WeakPolarHBondContact O-CZ 3.09Å; F78-I100 HydrophobicContact CB-CD1 3.76Å; F78-I100 HydrophobicContact CD1-CD1 3.77Å; F78-I100 HydrophobicContact CD1-CG1 3.9Å; F78-I100 HydrophobicContact CD1-CG2 4.32Å; F78-I100 HydrophobicContact CD2-CD1 4.33Å; F78-I100 HydrophobicContact CD2-CG2 3.59Å; F78-I100 HydrophobicContact CE1-CG1 4.19Å; F78-I100 HydrophobicContact CE1-CG2 4.3Å; F78-I100 HydrophobicContact CE2-CG2 3.56Å; F78-I100 HydrophobicContact CG-CD1 3.66Å; F78-I100 HydrophobicContact CG-CG1 4.11Å; F78-I100 HydrophobicContact CG-CG2 4.01Å; F78-I100 HydrophobicContact CZ-CG2 3.94Å; F78-V109 HydrophobicContact CD2-CG1 3.71Å; F78-V109 HydrophobicContact CE2-CG1 3.68Å; F78-P110 PolarHBondContact N-O 2.55Å; F78-M111 HydrophobicContact CB-CG 4.18Å; F78-M111 CarbonylContact O-C 3.32Å; F78-M111 WeakPolarHBondContact O-CA 3.22Å; F78-V112 PolarHBondContact O-N 3.2Å |
| 79 | L | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 116.7 | 162.8 | -67.5 | -175.1 | 0 | 0 | 0 | 108.5 | V7 V8 V9 V81 V112 V114 F156 L159 | V7-L79 PolarHBondContact O-N 2.95Å; V8-L79 HydrophobicContact CG1-CB 4.26Å; V8-L79 HydrophobicContact CG2-CD1 4.33Å; V9-L79 WeakPolarHBondContact CG2-O 3.26Å; V9-L79 PolarHBondContact N-O 2.91Å; V9-L79 VanDerWaalsContact O-O 3.12Å; L79-V81 HydrophobicContact CB-CG2 4.16Å; L79-V112 HydrophobicContact CD2-CB 3.8Å; L79-V112 HydrophobicContact CD2-CG1 4.31Å; L79-V112 HydrophobicContact CD2-CG2 4.48Å; L79-V114 HydrophobicContact CB-CG2 4.45Å; L79-V114 HydrophobicContact CD2-CG2 3.96Å; L79-F156 HydrophobicContact CD1-CD1 3.6Å; L79-F156 HydrophobicContact CD1-CD2 4.17Å; L79-F156 HydrophobicContact CD1-CE1 3.44Å; L79-F156 VanDerWaalsContact CD1-CE1 3.44Å; L79-F156 HydrophobicContact CD1-CE2 4.03Å; L79-F156 HydrophobicContact CD1-CG 3.97Å; L79-F156 HydrophobicContact CD1-CZ 3.66Å; L79-L159 HydrophobicContact CD2-CB 4Å; L79-L159 HydrophobicContact CD2-CD2 3.79Å; L79-L159 HydrophobicContact CD2-CG 4.43Å; L79-L159 HydrophobicContact CG-CD2 3.79Å |
| 80 | C | 97.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 97.5 | 175.9 | -66.2 | 0 | 0 | 0 | 0 | 108.7 | I93 V112 L113 V114 | C80-I93 HydrophobicContact CB-CD1 4.2Å; C80-I93 HydrophobicContact CB-CG2 4.43Å; C80-V112 PolarHBondContact N-O 2.87Å; C80-L113 HydrophobicContact CB-CD1 4.35Å; C80-V114 PolarHBondContact O-N 2.92Å |
| 81 | V | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 127.1 | -170 | -169.5 | 0 | 0 | 0 | 0 | 111.3 | V8 V9 G10 V14 K16 L19 L79 V114 N116 | V8-V81 HydrophobicContact CG1-CG2 3.57Å; V9-V81 PolarHBondContact O-N 3.49Å; G10-V81 WeakPolarHBondContact CA-O 3.35Å; V14-V81 HydrophobicContact CB-CG1 4.34Å; V14-V81 HydrophobicContact CG2-CB 4.05Å; V14-V81 HydrophobicContact CG2-CG1 3.84Å; K16-V81 HydrophobicContact CG-CB 4.26Å; K16-V81 HydrophobicContact CG-CG2 4.44Å; L19-V81 HydrophobicContact CD1-CG1 3.89Å; L19-V81 HydrophobicContact CD1-CG2 4.2Å; L79-V81 HydrophobicContact CB-CG2 4.16Å; V81-V114 WeakPolarHBondContact CA-O 3.47Å; V81-V114 HydrophobicContact CG1-CB 4.48Å; V81-V114 HydrophobicContact CG1-CG1 4.34Å; V81-V114 HydrophobicContact CG2-CB 4.17Å; V81-N116 HydrophobicContact CG1-CB 4Å |
| 82 | F | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 167.9 | 164.3 | 72 | -83.1 | 0 | 0 | 0 | 109.8 | I84 S89 F90 I93 L113 V114 N116 V125 A130 Y141 | F82-I84 HydrophobicContact CE2-CG2 4.18Å; F82-S89 WeakPolarHBondContact CB-O 3.37Å; F82-F90 HydrophobicContact CB-CB 4.38Å; F82-F90 AromaticContact CD1-CD2 3.88Å; F82-F90 HydrophobicContact CD1-CD2 3.88Å; F82-F90 HydrophobicContact CD2-CB 3.79Å; F82-F90 AromaticContact CD2-CD2 3.79Å; F82-F90 HydrophobicContact CD2-CD2 3.79Å; F82-F90 HydrophobicContact CD2-CG 4.23Å; F82-F90 AromaticContact CE1-CD2 3.74Å; F82-F90 HydrophobicContact CE1-CD2 3.74Å; F82-F90 HydrophobicContact CE1-CE2 4.09Å; F82-F90 HydrophobicContact CE2-CB 4.29Å; F82-F90 AromaticContact CE2-CD2 3.67Å; F82-F90 HydrophobicContact CE2-CD2 3.67Å; F82-F90 HydrophobicContact CE2-CE2 4.4Å; F82-F90 HydrophobicContact CE2-CG 4.31Å; F82-F90 HydrophobicContact CG-CB 4.13Å; F82-F90 AromaticContact CG-CD2 3.9Å; F82-F90 HydrophobicContact CG-CD2 3.9Å; F82-F90 AromaticContact CZ-CD2 3.64Å; F82-F90 HydrophobicContact CZ-CD2 3.64Å; F82-F90 AromaticContact CZ-CE2 3.99Å; F82-F90 HydrophobicContact CZ-CE2 3.99Å; F82-I93 HydrophobicContact CB-CD1 4.03Å; F82-I93 HydrophobicContact CB-CG1 4.06Å; F82-I93 HydrophobicContact CD1-CD1 4.45Å; F82-I93 HydrophobicContact CD1-CG1 4.25Å; F82-I93 HydrophobicContact CG-CG1 4.5Å; F82-L113 HydrophobicContact CD1-CD1 3.89Å; F82-L113 HydrophobicContact CD1-CG 4.37Å; F82-L113 HydrophobicContact CE1-CD1 3.94Å; F82-L113 HydrophobicContact CE1-CD2 4.21Å; F82-L113 HydrophobicContact CE1-CG 3.93Å; F82-V114 WeakPolarHBondContact CD1-O 3.4Å; F82-V114 PolarHBondContact N-O 3.34Å; F82-N116 PolarHBondContact O-N 3.31Å; F82-V125 HydrophobicContact CE2-CB 4.13Å; F82-V125 HydrophobicContact CE2-CG1 3.84Å; F82-V125 HydrophobicContact CE2-CG2 4.42Å; F82-V125 HydrophobicContact CZ-CG1 4.36Å; F82-A130 HydrophobicContact CE1-CB 4.38Å; F82-A130 HydrophobicContact CZ-CB 3.79Å; F82-Y141 AromaticContact CE1-CE2 3.82Å; F82-Y141 HydrophobicContact CE1-CE2 3.82Å; F82-Y141 AromaticContact CZ-CE2 3.9Å; F82-Y141 HydrophobicContact CZ-CE2 3.9Å |
| 83 | A | 96.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V14 N85 N86 S89 N116 K117 | V14-A83 HydrophobicContact CB-CB 4.31Å; V14-A83 HydrophobicContact CG1-CB 4.41Å; A83-N85 WeakPolarHBondContact CB-OD1 3.44Å; A83-N85 PolarHBondContact O-N 3.35Å; A83-N85 VanDerWaalsContact O-N 3.08Å; A83-N86 HydrophobicContact CB-CB 4.24Å; A83-N86 PolarHBondContact O-N 3.22Å; A83-S89 PolarHBondContact N-OG 3.36Å; A83-S89 PolarHBondContact O-OG 3.15Å; A83-N116 WeakPolarHBondContact CA-O 3.22Å; A83-K117 HydrophobicContact CB-CD 3.99Å; A83-K117 HydrophobicContact CB-CG 4.25Å |
| 84 | I | 96.5 | Very high | 96.1 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -19.3 | -176.7 | 61.4 | 141.6 | 0 | 0 | 0 | 113.6 | F82 N116 K117 C118 C123 T124 V125 | F82-I84 HydrophobicContact CE2-CG2 4.18Å; I84-N116 WeakPolarHBondContact CG1-O 3.4Å; I84-N116 PolarHBondContact N-O 3.32Å; I84-K117 WeakPolarHBondContact CD1-O 3.35Å; I84-K117 WeakPolarHBondContact CG1-O 3.36Å; I84-C118 HydrophobicContact CD1-CB 4.42Å; I84-C123 HydrophobicContact CD1-CB 4.02Å; I84-T124 PolarHBondContact O-N 3.11Å; I84-T124 PolarHBondContact O-OG1 3.18Å; I84-V125 PolarHBondContact O-N 2.97Å |
| 85 | N | 95.1 | Very high | 96.2 | Very high | 57 Ų | 57 | 37.9 Ų | 37.9 | 31% | 0.305 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 10.1 | 177 | 76 | -34.7 | 0 | 0 | 0 | 113.5 | A83 L120 A122 | A83-N85 WeakPolarHBondContact CB-OD1 3.44Å; A83-N85 PolarHBondContact O-N 3.35Å; A83-N85 VanDerWaalsContact O-N 3.08Å; N85-L120 HydrophobicContact CB-CD1 4.45Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.28Å; N85-A122 VanDerWaalsContact CA-O 3.31Å; N85-A122 WeakPolarHBondContact CA-O 3.46Å; N85-A122 WeakPolarHBondContact CB-O 3.45Å |
| 86 | N | 94.2 | Very high | 96.1 | Very high | 62 Ų | 62 | 39 Ų | 39 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | trans | -139.1 | 94.6 | -178 | -177.9 | -11.9 | 0 | 0 | 0 | 110.9 | A83 K88 S89 F90 T124 | A83-N86 HydrophobicContact CB-CB 4.24Å; A83-N86 PolarHBondContact O-N 3.22Å; N86-K88 VanDerWaalsContact C-N 3.31Å; N86-K88 PolarHBondContact O-N 3.25Å; N86-K88 WeakPolarHBondContact OD1-CB 3.2Å; N86-K88 PolarHBondContact OD1-N 3.39Å; N86-S89 PolarHBondContact O-N 2.75Å; N86-S89 VanDerWaalsContact O-N 3.14Å; N86-S89 PolarHBondContact O-OG 3.22Å; N86-S89 PolarHBondContact OD1-N 2.96Å; N86-S89 VanDerWaalsContact OD1-N 3.14Å; N86-F90 PolarHBondContact O-N 3.02Å; N86-T124 PolarHBondContact N-OG1 3.37Å | ||
| 87 | T | 95.4 | Very high | 96 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 36% | 0.356 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.2 | -38.5 | 179.4 | -52 | 0 | 0 | 0 | 0 | 113.2 | S89 F90 E91 T124 | T87-S89 VanDerWaalsContact C-N 3.3Å; T87-S89 PolarHBondContact O-N 3.15Å; T87-F90 WeakPolarHBondContact O-CB 3.34Å; T87-F90 PolarHBondContact O-N 3.46Å; T87-E91 PolarHBondContact O-N 2.63Å; T87-T124 PolarHBondContact N-OG1 2.63Å; T87-T124 WeakPolarHBondContact OG1-CB 3.4Å; T87-T124 PolarHBondContact OG1-OG1 3.39Å; T87-T124 VanDerWaalsContact OG1-OG1 3.14Å |
| 88 | K | 95 | Very high | 95.9 | Very high | 140 Ų | 140 | 41 Ų | 41 | 61% | 0.609 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -60.1 | -42.3 | 177.5 | -177.1 | 175.9 | 180 | 174.4 | 0 | 111.6 | N86 F90 E91 D92 | N86-K88 VanDerWaalsContact C-N 3.31Å; N86-K88 PolarHBondContact O-N 3.25Å; N86-K88 WeakPolarHBondContact OD1-CB 3.2Å; N86-K88 PolarHBondContact OD1-N 3.39Å; K88-F90 PolarHBondContact O-N 3.36Å; K88-E91 PolarHBondContact O-N 3.41Å; K88-D92 VanDerWaalsContact O-CG 3.22Å; K88-D92 PolarHBondContact O-N 3.4Å |
| 89 | S | 95.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -27.1 | 177.8 | 73.7 | 0 | 0 | 0 | 0 | 113.5 | F82 A83 N86 T87 | F82-S89 WeakPolarHBondContact CB-O 3.37Å; A83-S89 PolarHBondContact N-OG 3.36Å; A83-S89 PolarHBondContact O-OG 3.15Å; N86-S89 PolarHBondContact O-N 2.75Å; N86-S89 VanDerWaalsContact O-N 3.14Å; N86-S89 PolarHBondContact O-OG 3.22Å; N86-S89 PolarHBondContact OD1-N 2.96Å; N86-S89 VanDerWaalsContact OD1-N 3.14Å; T87-S89 VanDerWaalsContact C-N 3.3Å; T87-S89 PolarHBondContact O-N 3.15Å |
| 90 | F | 97.2 | Very high | 95.4 | Very high | 30 Ų | 30 | 43.1 Ų | 43.1 | 13% | 0.132 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -76.4 | -41 | 174.9 | 178.1 | -109.9 | 0 | 0 | 0 | 111.8 | F82 N86 T87 K88 D92 I93 V125 A130 L133 | F82-F90 HydrophobicContact CB-CB 4.38Å; F82-F90 AromaticContact CD1-CD2 3.88Å; F82-F90 HydrophobicContact CD1-CD2 3.88Å; F82-F90 HydrophobicContact CD2-CB 3.79Å; F82-F90 AromaticContact CD2-CD2 3.79Å; F82-F90 HydrophobicContact CD2-CD2 3.79Å; F82-F90 HydrophobicContact CD2-CG 4.23Å; F82-F90 AromaticContact CE1-CD2 3.74Å; F82-F90 HydrophobicContact CE1-CD2 3.74Å; F82-F90 HydrophobicContact CE1-CE2 4.09Å; F82-F90 HydrophobicContact CE2-CB 4.29Å; F82-F90 AromaticContact CE2-CD2 3.67Å; F82-F90 HydrophobicContact CE2-CD2 3.67Å; F82-F90 HydrophobicContact CE2-CE2 4.4Å; F82-F90 HydrophobicContact CE2-CG 4.31Å; F82-F90 HydrophobicContact CG-CB 4.13Å; F82-F90 AromaticContact CG-CD2 3.9Å; F82-F90 HydrophobicContact CG-CD2 3.9Å; F82-F90 AromaticContact CZ-CD2 3.64Å; F82-F90 HydrophobicContact CZ-CD2 3.64Å; F82-F90 AromaticContact CZ-CE2 3.99Å; F82-F90 HydrophobicContact CZ-CE2 3.99Å; N86-F90 PolarHBondContact O-N 3.02Å; T87-F90 WeakPolarHBondContact O-CB 3.34Å; T87-F90 PolarHBondContact O-N 3.46Å; K88-F90 PolarHBondContact O-N 3.36Å; F90-D92 VanDerWaalsContact C-N 3.31Å; F90-D92 PolarHBondContact O-N 2.83Å; F90-I93 VanDerWaalsContact O-CB 3.3Å; F90-I93 WeakPolarHBondContact O-CB 3.4Å; F90-I93 WeakPolarHBondContact O-CG1 3.46Å; F90-I93 PolarHBondContact O-N 2.77Å; F90-V125 HydrophobicContact CB-CG1 4.29Å; F90-V125 HydrophobicContact CB-CG2 3.84Å; F90-V125 HydrophobicContact CD1-CG1 3.87Å; F90-V125 HydrophobicContact CD1-CG2 4.45Å; F90-V125 HydrophobicContact CD2-CG1 3.88Å; F90-V125 HydrophobicContact CE1-CG1 4.09Å; F90-V125 HydrophobicContact CE2-CG1 4.1Å; F90-V125 HydrophobicContact CG-CG1 3.75Å; F90-V125 HydrophobicContact CG-CG2 4.18Å; F90-V125 HydrophobicContact CZ-CG1 4.19Å; F90-A130 HydrophobicContact CE2-CB 3.9Å; F90-A130 HydrophobicContact CZ-CB 4.36Å; F90-L133 HydrophobicContact CD2-CD2 4.29Å; F90-L133 HydrophobicContact CE1-CD2 4.23Å; F90-L133 HydrophobicContact CE2-CB 4.4Å; F90-L133 HydrophobicContact CE2-CD2 3.49Å; F90-L133 VanDerWaalsContact CE2-CD2 3.49Å; F90-L133 HydrophobicContact CZ-CB 3.97Å; F90-L133 HydrophobicContact CZ-CD2 3.46Å; F90-L133 VanDerWaalsContact CZ-CD2 3.46Å; F90-L133 HydrophobicContact CZ-CG 4.32Å |
| 91 | E | 95.5 | Very high | 95.3 | Very high | 130 Ų | 130 | 44.4 Ų | 44.4 | 61% | 0.607 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -61.5 | -40.5 | 174 | -67.1 | 169.8 | 178.3 | 0 | 0 | 111.6 | T87 K88 I93 H94 | T87-E91 PolarHBondContact O-N 2.63Å; K88-E91 PolarHBondContact O-N 3.41Å; E91-I93 PolarHBondContact O-N 2.83Å; E91-I93 VanDerWaalsContact O-N 3.16Å; E91-H94 PolarHBondContact O-N 3.26Å |
| 92 | D | 94.6 | Very high | 95.2 | Very high | 42 Ų | 42 | 54.6 Ų | 54.6 | 23% | 0.225 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.2 | -179.9 | -68.2 | -21.6 | 0 | 0 | 0 | 113.1 | K88 F90 H94 Q95 Y96 | K88-D92 VanDerWaalsContact O-CG 3.22Å; K88-D92 PolarHBondContact O-N 3.4Å; F90-D92 VanDerWaalsContact C-N 3.31Å; F90-D92 PolarHBondContact O-N 2.83Å; D92-H94 PolarHBondContact O-N 2.83Å; D92-Q95 WeakPolarHBondContact O-CB 3.26Å; D92-Q95 PolarHBondContact O-N 2.78Å; D92-Y96 HydrophobicContact CB-CD2 4.47Å; D92-Y96 HydrophobicContact CB-CE2 4.11Å; D92-Y96 WeakPolarHBondContact O-CD2 3.47Å; D92-Y96 PolarHBondContact O-N 2.85Å |
| 93 | I | 96.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.6 | -37.8 | 178.5 | -67.4 | -58.2 | 0 | 0 | 0 | 112 | C80 F82 F90 E91 Q95 Y96 R97 L113 Y137 | C80-I93 HydrophobicContact CB-CD1 4.2Å; C80-I93 HydrophobicContact CB-CG2 4.43Å; F82-I93 HydrophobicContact CB-CD1 4.03Å; F82-I93 HydrophobicContact CB-CG1 4.06Å; F82-I93 HydrophobicContact CD1-CD1 4.45Å; F82-I93 HydrophobicContact CD1-CG1 4.25Å; F82-I93 HydrophobicContact CG-CG1 4.5Å; F90-I93 VanDerWaalsContact O-CB 3.3Å; F90-I93 WeakPolarHBondContact O-CB 3.4Å; F90-I93 WeakPolarHBondContact O-CG1 3.46Å; F90-I93 PolarHBondContact O-N 2.77Å; E91-I93 PolarHBondContact O-N 2.83Å; E91-I93 VanDerWaalsContact O-N 3.16Å; I93-Q95 VanDerWaalsContact C-N 3.28Å; I93-Q95 PolarHBondContact O-N 3Å; I93-Y96 PolarHBondContact O-N 2.86Å; I93-R97 WeakPolarHBondContact O-CB 3.44Å; I93-R97 PolarHBondContact O-N 3.22Å; I93-L113 HydrophobicContact CD1-CD1 4.26Å; I93-L113 HydrophobicContact CG1-CD1 4.07Å; I93-L113 HydrophobicContact CG2-CD1 3.71Å; I93-Y137 HydrophobicContact CG2-CE2 4.29Å |
| 94 | H | 95.5 | Very high | 94.8 | Very high | 98 Ų | 98 | 58.7 Ų | 58.7 | 45% | 0.454 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 178.6 | -175.6 | 69.1 | 0 | 0 | 0 | 111.3 | E91 D92 R97 E98 Y137 | E91-H94 PolarHBondContact O-N 3.26Å; D92-H94 PolarHBondContact O-N 2.83Å; H94-R97 PolarHBondContact O-N 2.57Å; H94-E98 WeakPolarHBondContact O-CG 3.42Å; H94-E98 PolarHBondContact O-N 3Å; H94-Y137 AromaticContact ND1-CZ 3.97Å; H94-Y137 PolarHBondContact ND1-OH 3.24Å |
| 95 | Q | 93.3 | Very high | 94.7 | Very high | 106 Ų | 106 | 65.7 Ų | 65.7 | 50% | 0.495 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 178.9 | -173.6 | -178 | 4.7 | 0 | 0 | 111.9 | D92 I93 R97 E98 Q99 | D92-Q95 WeakPolarHBondContact O-CB 3.26Å; D92-Q95 PolarHBondContact O-N 2.78Å; I93-Q95 VanDerWaalsContact C-N 3.28Å; I93-Q95 PolarHBondContact O-N 3Å; Q95-R97 VanDerWaalsContact C-N 3.34Å; Q95-R97 PolarHBondContact O-N 3.26Å; Q95-E98 PolarHBondContact O-N 3.29Å; Q95-Q99 WeakPolarHBondContact O-CB 3.19Å; Q95-Q99 VanDerWaalsContact O-CG 3.27Å; Q95-Q99 WeakPolarHBondContact O-CG 3.26Å; Q95-Q99 PolarHBondContact O-N 2.95Å; Q95-Q99 VanDerWaalsContact O-N 3.07Å |
| 96 | Y | 93.3 | Very high | 94.7 | Very high | 25 Ų | 25 | 64.8 Ų | 64.8 | 10% | 0.098 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 176.7 | -72.4 | -72.3 | 0 | 0 | 0 | 111.5 | V9 G10 A11 D92 I93 Q99 I100 | V9-Y96 HydrophobicContact CB-CD1 4.11Å; V9-Y96 HydrophobicContact CG2-CD1 4.43Å; V9-Y96 HydrophobicContact CG2-CG 4.49Å; G10-Y96 VanDerWaalsContact C-CZ 3.42Å; G10-Y96 VanDerWaalsContact C-OH 3.23Å; G10-Y96 PolarHBondContact O-OH 2.79Å; A11-Y96 WeakPolarHBondContact CA-OH 3.5Å; A11-Y96 PolarHBondContact N-OH 2.91Å; D92-Y96 HydrophobicContact CB-CD2 4.47Å; D92-Y96 HydrophobicContact CB-CE2 4.11Å; D92-Y96 WeakPolarHBondContact O-CD2 3.47Å; D92-Y96 PolarHBondContact O-N 2.85Å; I93-Y96 PolarHBondContact O-N 2.86Å; Y96-Q99 PolarHBondContact O-N 3.4Å; Y96-I100 WeakPolarHBondContact O-CD1 3.18Å; Y96-I100 VanDerWaalsContact O-CG1 3.28Å; Y96-I100 WeakPolarHBondContact O-CG1 3.5Å; Y96-I100 PolarHBondContact O-N 2.98Å |
| 97 | R | 95.1 | Very high | 94.6 | Very high | 32 Ų | 32 | 67.8 Ų | 67.8 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.7 | -49.9 | 178.5 | -176.6 | -178.5 | 177.9 | -75.5 | -1.5 | 112.2 | I93 H94 Q95 Q99 I100 K101 M111 | I93-R97 WeakPolarHBondContact O-CB 3.44Å; I93-R97 PolarHBondContact O-N 3.22Å; H94-R97 PolarHBondContact O-N 2.57Å; Q95-R97 VanDerWaalsContact C-N 3.34Å; Q95-R97 PolarHBondContact O-N 3.26Å; R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 3.22Å; R97-I100 PolarHBondContact O-N 3.38Å; R97-K101 HydrophobicContact CG-CD 4.25Å; R97-K101 VanDerWaalsContact CZ-CD 3.47Å; R97-K101 WeakPolarHBondContact O-CG 3.47Å; R97-K101 PolarHBondContact O-N 3.42Å; R97-M111 HydrophobicContact CG-CE 4.16Å; R97-M111 HydrophobicContact CG-SD 4Å |
| 98 | E | 94.9 | Very high | 94.5 | Very high | 71 Ų | 71 | 68.3 Ų | 68.3 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.5 | -34.2 | -179.6 | -68.3 | -49.8 | 120.5 | 0 | 0 | 112 | H94 Q95 K101 R102 | H94-E98 WeakPolarHBondContact O-CG 3.42Å; H94-E98 PolarHBondContact O-N 3Å; Q95-E98 PolarHBondContact O-N 3.29Å; E98-K101 IonicContact OE1-NZ 3.14Å; E98-K101 IonicContact OE2-NZ 2.79Å; E98-R102 VanDerWaalsContact O-CB 3.28Å; E98-R102 WeakPolarHBondContact O-CB 3.2Å; E98-R102 PolarHBondContact O-N 2.93Å |
| 99 | Q | 91.6 | Very high | 94.6 | Very high | 44 Ų | 44 | 62.3 Ų | 62.3 | 21% | 0.206 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 172.8 | -74.2 | 175.3 | 8.2 | 0 | 0 | 111.9 | R68 M72 Q95 Y96 R97 K101 R102 V103 | R68-Q99 VanDerWaalsContact CD-OE1 3.29Å; M72-Q99 HydrophobicContact CE-CB 3.92Å; M72-Q99 HydrophobicContact SD-CB 4.01Å; Q95-Q99 WeakPolarHBondContact O-CB 3.19Å; Q95-Q99 VanDerWaalsContact O-CG 3.27Å; Q95-Q99 WeakPolarHBondContact O-CG 3.26Å; Q95-Q99 PolarHBondContact O-N 2.95Å; Q95-Q99 VanDerWaalsContact O-N 3.07Å; Y96-Q99 PolarHBondContact O-N 3.4Å; R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 3.22Å; Q99-K101 VanDerWaalsContact C-N 3.35Å; Q99-K101 PolarHBondContact O-N 3.16Å; Q99-R102 PolarHBondContact O-N 2.91Å; Q99-V103 WeakPolarHBondContact O-CG2 3.23Å; Q99-V103 PolarHBondContact O-N 2.87Å |
| 100 | I | 94.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.9 | -49.5 | 177.6 | -66.6 | 159.8 | 0 | 0 | 0 | 110.3 | V9 M72 F78 Y96 R97 R102 V103 K104 V109 M111 | V9-I100 HydrophobicContact CG2-CD1 4.1Å; M72-I100 HydrophobicContact CE-CG1 4.21Å; M72-I100 HydrophobicContact CG-CG1 4.44Å; M72-I100 HydrophobicContact SD-CG1 4.25Å; F78-I100 HydrophobicContact CB-CD1 3.76Å; F78-I100 HydrophobicContact CD1-CD1 3.77Å; F78-I100 HydrophobicContact CD1-CG1 3.9Å; F78-I100 HydrophobicContact CD1-CG2 4.32Å; F78-I100 HydrophobicContact CD2-CD1 4.33Å; F78-I100 HydrophobicContact CD2-CG2 3.59Å; F78-I100 HydrophobicContact CE1-CG1 4.19Å; F78-I100 HydrophobicContact CE1-CG2 4.3Å; F78-I100 HydrophobicContact CE2-CG2 3.56Å; F78-I100 HydrophobicContact CG-CD1 3.66Å; F78-I100 HydrophobicContact CG-CG1 4.11Å; F78-I100 HydrophobicContact CG-CG2 4.01Å; F78-I100 HydrophobicContact CZ-CG2 3.94Å; Y96-I100 WeakPolarHBondContact O-CD1 3.18Å; Y96-I100 VanDerWaalsContact O-CG1 3.28Å; Y96-I100 WeakPolarHBondContact O-CG1 3.5Å; Y96-I100 PolarHBondContact O-N 2.98Å; R97-I100 PolarHBondContact O-N 3.38Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.16Å; I100-V103 PolarHBondContact O-N 2.98Å; I100-K104 HydrophobicContact CG2-CG 4.14Å; I100-K104 VanDerWaalsContact O-CB 3.29Å; I100-K104 WeakPolarHBondContact O-CB 2.92Å; I100-K104 VanDerWaalsContact O-CG 3.3Å; I100-K104 WeakPolarHBondContact O-CG 3.3Å; I100-K104 PolarHBondContact O-N 2.99Å; I100-V109 HydrophobicContact CG2-CB 4.41Å; I100-V109 HydrophobicContact CG2-CG1 3.79Å; I100-M111 HydrophobicContact CB-CE 3.93Å; I100-M111 HydrophobicContact CD1-CE 4.31Å; I100-M111 HydrophobicContact CD1-SD 4.07Å; I100-M111 HydrophobicContact CG2-CE 3.55Å |
| 101 | K | 95.6 | Very high | 94.8 | Very high | 28 Ų | 28 | 61.4 Ų | 61.4 | 12% | 0.122 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 180 | -71.2 | 176.9 | 69.5 | -135.8 | 0 | 112.3 | R97 E98 Q99 K104 D105 S106 D107 M111 | R97-K101 HydrophobicContact CG-CD 4.25Å; R97-K101 VanDerWaalsContact CZ-CD 3.47Å; R97-K101 WeakPolarHBondContact O-CG 3.47Å; R97-K101 PolarHBondContact O-N 3.42Å; E98-K101 IonicContact OE1-NZ 3.14Å; E98-K101 IonicContact OE2-NZ 2.79Å; Q99-K101 VanDerWaalsContact C-N 3.35Å; Q99-K101 PolarHBondContact O-N 3.16Å; K101-K104 PolarHBondContact O-N 2.96Å; K101-D105 WeakPolarHBondContact O-CA 3.37Å; K101-D105 PolarHBondContact O-N 3.39Å; K101-S106 PolarHBondContact O-N 2.93Å; K101-D107 WeakPolarHBondContact CE-OD1 3.43Å; K101-D107 IonicContact NZ-OD1 3.59Å; K101-D107 PolarHBondContact NZ-OD1 3.37Å; K101-M111 HydrophobicContact CG-CE 4.14Å |
| 102 | R | 94.8 | Very high | 94.9 | Very high | 213 Ų | 213 | 55.2 Ų | 55.2 | 80% | 0.804 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.1 | -44.9 | 177.4 | -178.7 | -175.9 | 172.3 | -164.2 | -3.6 | 111.9 | E98 Q99 I100 D105 | E98-R102 VanDerWaalsContact O-CB 3.28Å; E98-R102 WeakPolarHBondContact O-CB 3.2Å; E98-R102 PolarHBondContact O-N 2.93Å; Q99-R102 PolarHBondContact O-N 2.91Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.16Å; R102-D105 PolarHBondContact O-N 2.98Å |
| 103 | V | 93.5 | Very high | 95.1 | Very high | 29 Ų | 29 | 53.2 Ų | 53.2 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.5 | -33.5 | -179.3 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | D69 M72 R73 Q99 I100 D105 | D69-V103 HydrophobicContact CB-CG2 4.34Å; D69-V103 WeakPolarHBondContact O-CG1 3.25Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.33Å; M72-V103 HydrophobicContact CB-CB 3.85Å; M72-V103 HydrophobicContact CB-CG1 3.63Å; M72-V103 HydrophobicContact CB-CG2 4.15Å; M72-V103 HydrophobicContact SD-CB 4.48Å; M72-V103 HydrophobicContact SD-CG2 4.01Å; R73-V103 HydrophobicContact CB-CG1 4.04Å; Q99-V103 WeakPolarHBondContact O-CG2 3.23Å; Q99-V103 PolarHBondContact O-N 2.87Å; I100-V103 PolarHBondContact O-N 2.98Å; V103-D105 VanDerWaalsContact C-N 3.32Å |
| 104 | K | 93.9 | Very high | 95.3 | Very high | 58 Ų | 58 | 53.1 Ų | 53.1 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -78.2 | -15.5 | 175.9 | -72 | -55.7 | -162.6 | -169.9 | 0 | 114.4 | M72 R73 G75 I100 K101 S106 V109 | M72-K104 WeakPolarHBondContact O-CD 3.41Å; M72-K104 WeakPolarHBondContact O-CE 3.45Å; M72-K104 PolarHBondContact O-NZ 2.89Å; R73-K104 PolarHBondContact O-NZ 2.94Å; G75-K104 WeakPolarHBondContact O-CE 3.48Å; G75-K104 PolarHBondContact O-NZ 2.88Å; I100-K104 HydrophobicContact CG2-CG 4.14Å; I100-K104 VanDerWaalsContact O-CB 3.29Å; I100-K104 WeakPolarHBondContact O-CB 2.92Å; I100-K104 VanDerWaalsContact O-CG 3.3Å; I100-K104 WeakPolarHBondContact O-CG 3.3Å; I100-K104 PolarHBondContact O-N 2.99Å; K101-K104 PolarHBondContact O-N 2.96Å; K104-S106 PolarHBondContact O-N 2.74Å; K104-V109 HydrophobicContact CB-CG2 3.63Å; K104-V109 HydrophobicContact CG-CG1 4.06Å; K104-V109 HydrophobicContact CG-CG2 3.79Å |
| 105 | D | 94.9 | Very high | 95.4 | Very high | 155 Ų | 155 | 48.5 Ų | 48.5 | 83% | 0.829 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 45.8 | -171.3 | -162.9 | 32.5 | 0 | 0 | 0 | 111.4 | K101 R102 V103 | K101-D105 WeakPolarHBondContact O-CA 3.37Å; K101-D105 PolarHBondContact O-N 3.39Å; R102-D105 PolarHBondContact O-N 2.98Å; V103-D105 VanDerWaalsContact C-N 3.32Å |
| 106 | S | 93.8 | Very high | 95.6 | Very high | 38 Ų | 38 | 43.6 Ų | 43.6 | 27% | 0.266 | 21% | 0.21 | S | C | . | . | trans | -156.7 | 140.4 | -174.6 | -168.9 | 0 | 0 | 0 | 0 | 112.5 | K101 K104 D108 V109 | K101-S106 PolarHBondContact O-N 2.93Å; K104-S106 PolarHBondContact O-N 2.74Å; S106-D108 PolarHBondContact OG-N 3.2Å; S106-V109 WeakPolarHBondContact O-CG2 3.29Å | ||
| 107 | D | 91.9 | Very high | 95.7 | Very high | 124 Ų | 124 | 45.2 Ų | 45.2 | 66% | 0.663 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -84 | -21.9 | 172.4 | -69.4 | -51.7 | 0 | 0 | 0 | 113.4 | K101 | K101-D107 WeakPolarHBondContact CE-OD1 3.43Å; K101-D107 IonicContact NZ-OD1 3.59Å; K101-D107 PolarHBondContact NZ-OD1 3.37Å |
| 108 | D | 93.4 | Very high | 95.8 | Very high | 70 Ų | 70 | 45 Ų | 45 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | trans | -104.7 | 77.2 | -179.3 | -173.8 | 27.4 | 0 | 0 | 0 | 109.8 | S106 H166 R169 | S106-D108 PolarHBondContact OG-N 3.2Å; D108-H166 PolarHBondContact O-CD2 3.37Å; D108-H166 VanDerWaalsContact O-CD2 3.25Å; D108-H166 PolarHBondContact O-NE2 2.86Å; D108-H166 IonicContact OD2-CD2 3.79Å; D108-R169 IonicContact OD1-CZ 3.5Å; D108-R169 IonicContact OD1-NH1 3.33Å; D108-R169 PolarHBondContact OD1-NH1 3.46Å; D108-R169 IonicContact OD2-CZ 3.49Å; D108-R169 IonicContact OD2-NH1 3.68Å; D108-R169 PolarHBondContact OD2-NH1 3.14Å | ||
| 109 | V | 97.3 | Very high | 95.7 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 9% | 0.085 | 22% | 0.219 | C | C | . | . | trans | -110.4 | 131.4 | 176.4 | -178 | 0 | 0 | 0 | 0 | 108.7 | F78 I100 K104 S106 M111 | F78-V109 HydrophobicContact CD2-CG1 3.71Å; F78-V109 HydrophobicContact CE2-CG1 3.68Å; I100-V109 HydrophobicContact CG2-CB 4.41Å; I100-V109 HydrophobicContact CG2-CG1 3.79Å; K104-V109 HydrophobicContact CB-CG2 3.63Å; K104-V109 HydrophobicContact CG-CG1 4.06Å; K104-V109 HydrophobicContact CG-CG2 3.79Å; S106-V109 WeakPolarHBondContact O-CG2 3.29Å; V109-M111 HydrophobicContact CB-CE 3.7Å; V109-M111 HydrophobicContact CG1-CE 4.04Å; V109-M111 HydrophobicContact CG2-CE 4.48Å; V109-M111 WeakPolarHBondContact O-CG 3.26Å; V109-M111 PolarHBondContact O-N 3.48Å; V109-M111 VanDerWaalsContact O-N 3.16Å | ||
| 110 | P | 98.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 5% | 0.045 | 22% | 0.224 | C | C | . | . | trans | -59.5 | 117.7 | 176.6 | -25.7 | 35.7 | 0 | 0 | 0 | 111.9 | G77 F78 L159 E162 I163 H166 | G77-P110 VanDerWaalsContact CA-O 3.23Å; G77-P110 WeakPolarHBondContact CA-O 3.03Å; F78-P110 PolarHBondContact N-O 2.55Å; P110-L159 HydrophobicContact CB-CD1 4.4Å; P110-E162 HydrophobicContact CB-CB 4.09Å; P110-I163 HydrophobicContact CB-CG1 3.72Å; P110-I163 HydrophobicContact CG-CG1 4.07Å; P110-H166 HydrophobicContact CG-CB 3.64Å | ||
| 111 | M | 98.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 157.5 | 175.7 | -49.3 | -175 | -159.3 | 0 | 0 | 111.1 | F78 R97 I100 K101 V109 I139 P140 | F78-M111 HydrophobicContact CB-CG 4.18Å; F78-M111 CarbonylContact O-C 3.32Å; F78-M111 WeakPolarHBondContact O-CA 3.22Å; R97-M111 HydrophobicContact CG-CE 4.16Å; R97-M111 HydrophobicContact CG-SD 4Å; I100-M111 HydrophobicContact CB-CE 3.93Å; I100-M111 HydrophobicContact CD1-CE 4.31Å; I100-M111 HydrophobicContact CD1-SD 4.07Å; I100-M111 HydrophobicContact CG2-CE 3.55Å; K101-M111 HydrophobicContact CG-CE 4.14Å; V109-M111 HydrophobicContact CB-CE 3.7Å; V109-M111 HydrophobicContact CG1-CE 4.04Å; V109-M111 HydrophobicContact CG2-CE 4.48Å; V109-M111 WeakPolarHBondContact O-CG 3.26Å; V109-M111 PolarHBondContact O-N 3.48Å; V109-M111 VanDerWaalsContact O-N 3.16Å; M111-I139 HydrophobicContact CB-CD1 4.16Å; M111-I139 HydrophobicContact CB-CG2 4.2Å; M111-P140 WeakPolarHBondContact O-CD 3.4Å |
| 112 | V | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 131.6 | 167.4 | 174.8 | 0 | 0 | 0 | 0 | 108.2 | F78 L79 C80 V114 P140 I142 T158 L159 E162 | F78-V112 PolarHBondContact O-N 3.2Å; L79-V112 HydrophobicContact CD2-CB 3.8Å; L79-V112 HydrophobicContact CD2-CG1 4.31Å; L79-V112 HydrophobicContact CD2-CG2 4.48Å; C80-V112 PolarHBondContact N-O 2.87Å; V112-V114 HydrophobicContact CG1-CG2 4.07Å; V112-P140 HydrophobicContact CG1-CB 4.35Å; V112-P140 HydrophobicContact CG2-CB 4.32Å; V112-P140 HydrophobicContact CG2-CG 4.28Å; V112-I142 HydrophobicContact CG1-CD1 4.16Å; V112-I142 HydrophobicContact CG1-CG1 4.29Å; V112-T158 HydrophobicContact CG2-CG2 3.97Å; V112-L159 HydrophobicContact CG2-CB 3.91Å; V112-L159 HydrophobicContact CG2-CD1 4.12Å; V112-E162 HydrophobicContact CG2-CG 4.42Å |
| 113 | L | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128.9 | 171.3 | -176.2 | 64.5 | 0 | 0 | 0 | 109.3 | C80 F82 I93 L133 A134 I139 P140 Y141 I142 | C80-L113 HydrophobicContact CB-CD1 4.35Å; F82-L113 HydrophobicContact CD1-CD1 3.89Å; F82-L113 HydrophobicContact CD1-CG 4.37Å; F82-L113 HydrophobicContact CE1-CD1 3.94Å; F82-L113 HydrophobicContact CE1-CD2 4.21Å; F82-L113 HydrophobicContact CE1-CG 3.93Å; I93-L113 HydrophobicContact CD1-CD1 4.26Å; I93-L113 HydrophobicContact CG1-CD1 4.07Å; I93-L113 HydrophobicContact CG2-CD1 3.71Å; L113-L133 HydrophobicContact CD2-CD2 4.38Å; L113-A134 HydrophobicContact CB-CB 4.27Å; L113-A134 HydrophobicContact CD2-CB 3.92Å; L113-I139 HydrophobicContact CB-CD1 4.06Å; L113-I139 HydrophobicContact CB-CG1 4.46Å; L113-P140 PolarHBondContact N-O 3.39Å; L113-Y141 HydrophobicContact CB-CD2 4.04Å; L113-Y141 HydrophobicContact CD2-CD2 3.81Å; L113-Y141 HydrophobicContact CD2-CE2 4.35Å; L113-Y141 HydrophobicContact CG-CD2 3.76Å; L113-Y141 HydrophobicContact CG-CE2 4.3Å; L113-Y141 WeakPolarHBondContact O-CA 3.48Å; L113-Y141 WeakPolarHBondContact O-CD2 3.24Å; L113-I142 PolarHBondContact O-N 2.86Å |
| 114 | V | 98.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 118.3 | -177.3 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | L19 L79 C80 V81 F82 V112 I142 T144 A155 | L19-V114 HydrophobicContact CD1-CG1 4.06Å; L79-V114 HydrophobicContact CB-CG2 4.45Å; L79-V114 HydrophobicContact CD2-CG2 3.96Å; C80-V114 PolarHBondContact O-N 2.92Å; V81-V114 WeakPolarHBondContact CA-O 3.47Å; V81-V114 HydrophobicContact CG1-CB 4.48Å; V81-V114 HydrophobicContact CG1-CG1 4.34Å; V81-V114 HydrophobicContact CG2-CB 4.17Å; F82-V114 WeakPolarHBondContact CD1-O 3.4Å; F82-V114 PolarHBondContact N-O 3.34Å; V112-V114 HydrophobicContact CG1-CG2 4.07Å; V114-I142 WeakPolarHBondContact CA-O 3.26Å; V114-T144 HydrophobicContact CG1-CG2 3.7Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.36Å; V114-A155 HydrophobicContact CG2-CB 4.05Å |
| 115 | G | 98.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 98.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I142 E143 T144 | G115-I142 PolarHBondContact N-O 3.4Å; G115-E143 CarbonylContact O-C 3.55Å; G115-E143 WeakPolarHBondContact O-CA 3.28Å; G115-T144 PolarHBondContact O-N 3.25Å |
| 116 | N | 97.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 165.9 | -177.7 | -167.9 | 26.2 | 0 | 0 | 0 | 112.4 | V14 L19 V81 F82 A83 I84 T144 A146 | V14-N116 PolarHBondContact O-ND2 3.13Å; L19-N116 HydrophobicContact CD1-CB 4.3Å; V81-N116 HydrophobicContact CG1-CB 4Å; F82-N116 PolarHBondContact O-N 3.31Å; A83-N116 WeakPolarHBondContact CA-O 3.22Å; I84-N116 WeakPolarHBondContact CG1-O 3.4Å; I84-N116 PolarHBondContact N-O 3.32Å; N116-T144 CarbonylContact C-O 3.5Å; N116-T144 VanDerWaalsContact C-O 3.32Å; N116-T144 VanDerWaalsContact CA-O 3.26Å; N116-T144 WeakPolarHBondContact CA-O 3.4Å; N116-T144 WeakPolarHBondContact CA-OG1 3.44Å; N116-T144 PolarHBondContact OD1-O 3Å; N116-T144 PolarHBondContact OD1-OG1 2.96Å; N116-A146 PolarHBondContact OD1-N 3.45Å |
| 117 | K | 96 | Very high | 93.5 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | trans | 67.9 | 32.6 | 179.9 | -44.3 | -171.4 | -171.9 | -178.3 | 0 | 113.5 | G13 V14 A83 I84 D119 L120 T144 | G13-K117 WeakPolarHBondContact O-CE 3.48Å; G13-K117 PolarHBondContact O-NZ 3.38Å; V14-K117 WeakPolarHBondContact O-CE 3.5Å; A83-K117 HydrophobicContact CB-CD 3.99Å; A83-K117 HydrophobicContact CB-CG 4.25Å; I84-K117 WeakPolarHBondContact CD1-O 3.35Å; I84-K117 WeakPolarHBondContact CG1-O 3.36Å; K117-D119 WeakPolarHBondContact CA-OD1 3.35Å; K117-D119 PolarHBondContact O-N 3.11Å; K117-D119 VanDerWaalsContact O-N 3.1Å; K117-L120 HydrophobicContact CB-CD1 3.89Å; K117-L120 HydrophobicContact CB-CG 4.19Å; K117-L120 HydrophobicContact CD-CD1 4.05Å; K117-L120 WeakPolarHBondContact O-CB 3.34Å; K117-L120 PolarHBondContact O-N 3.36Å; K117-T144 PolarHBondContact N-O 3.45Å | ||
| 118 | C | 95.6 | Very high | 93.6 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 19% | 0.189 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -11.3 | 177.4 | 69.5 | 0 | 0 | 0 | 0 | 114.1 | I84 L120 E143 T144 | I84-C118 HydrophobicContact CD1-CB 4.42Å; C118-L120 VanDerWaalsContact C-N 3.29Å; C118-E143 HydrophobicContact CB-CB 4.3Å; C118-T144 PolarHBondContact N-O 3.02Å; C118-T144 VanDerWaalsContact N-O 3.1Å; C118-T144 PolarHBondContact SG-O 3.2Å |
| 119 | D | 94.6 | Very high | 93.7 | Very high | 54 Ų | 54 | 46 Ų | 46 | 29% | 0.289 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -17 | 171.4 | 60.4 | -75.7 | 0 | 0 | 0 | 113.9 | K117 S145 K147 T148 | K117-D119 WeakPolarHBondContact CA-OD1 3.35Å; K117-D119 PolarHBondContact O-N 3.11Å; K117-D119 VanDerWaalsContact O-N 3.1Å; D119-S145 VanDerWaalsContact OD1-CB 3.26Å; D119-S145 WeakPolarHBondContact OD1-CB 3.36Å; D119-S145 PolarHBondContact OD1-OG 3.07Å; D119-K147 WeakPolarHBondContact OD2-CD 3.23Å; D119-T148 HydrophobicContact CB-CG2 3.98Å |
| 120 | L | 91.3 | Very high | 93.7 | Very high | 59 Ų | 59 | 45.4 Ų | 45.4 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -82 | 135.7 | -179.8 | -63.5 | -179.5 | 0 | 0 | 0 | 111 | N85 K117 C118 A122 | N85-L120 HydrophobicContact CB-CD1 4.45Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.28Å; K117-L120 HydrophobicContact CB-CD1 3.89Å; K117-L120 HydrophobicContact CB-CG 4.19Å; K117-L120 HydrophobicContact CD-CD1 4.05Å; K117-L120 WeakPolarHBondContact O-CB 3.34Å; K117-L120 PolarHBondContact O-N 3.36Å; C118-L120 VanDerWaalsContact C-N 3.29Å; L120-A122 PolarHBondContact O-N 3.12Å |
| 121 | P | 83.3 | Confident | 93.6 | Very high | 134 Ų | 134 | 49.4 Ų | 49.4 | 87% | 0.87 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -70.9 | -21.2 | 179.3 | 29 | -35.3 | 0 | 0 | 0 | 113.1 | C123 | P121-C123 PolarHBondContact O-N 2.88Å; P121-C123 VanDerWaalsContact O-N 3.08Å |
| 122 | A | 80.5 | Confident | 93.6 | Very high | 62 Ų | 62 | 53.1 Ų | 53.1 | 51% | 0.512 | 29% | 0.287 | S | S | . | . | trans | -83.6 | 77.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | N85 L120 | N85-A122 VanDerWaalsContact CA-O 3.31Å; N85-A122 WeakPolarHBondContact CA-O 3.46Å; N85-A122 WeakPolarHBondContact CB-O 3.45Å; L120-A122 PolarHBondContact O-N 3.12Å | ||
| 123 | C | 83.4 | Confident | 93.5 | Very high | 67 Ų | 67 | 54.9 Ų | 54.9 | 45% | 0.453 | 30% | 0.296 | S | S | . | . | trans | -87.1 | 115.2 | 173.9 | -167.7 | 0 | 0 | 0 | 0 | 110 | I84 P121 V125 | I84-C123 HydrophobicContact CD1-CB 4.02Å; P121-C123 PolarHBondContact O-N 2.88Å; P121-C123 VanDerWaalsContact O-N 3.08Å; C123-V125 PolarHBondContact SG-O 3.38Å | ||
| 124 | T | 89.9 | Confident | 93.5 | Very high | 75 Ų | 75 | 55 Ų | 55 | 46% | 0.46 | 30% | 0.297 | S | S | . | . | trans | -102.8 | -13.9 | 176.8 | 63 | 0 | 0 | 0 | 0 | 112.7 | I84 N86 T87 | I84-T124 PolarHBondContact O-N 3.11Å; I84-T124 PolarHBondContact O-OG1 3.18Å; N86-T124 PolarHBondContact N-OG1 3.37Å; T87-T124 PolarHBondContact N-OG1 2.63Å; T87-T124 WeakPolarHBondContact OG1-CB 3.4Å; T87-T124 PolarHBondContact OG1-OG1 3.39Å; T87-T124 VanDerWaalsContact OG1-OG1 3.14Å | ||
| 125 | V | 91.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -115.5 | 112.9 | 176.8 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | F82 I84 F90 C123 | F82-V125 HydrophobicContact CE2-CB 4.13Å; F82-V125 HydrophobicContact CE2-CG1 3.84Å; F82-V125 HydrophobicContact CE2-CG2 4.42Å; F82-V125 HydrophobicContact CZ-CG1 4.36Å; I84-V125 PolarHBondContact O-N 2.97Å; F90-V125 HydrophobicContact CB-CG1 4.29Å; F90-V125 HydrophobicContact CB-CG2 3.84Å; F90-V125 HydrophobicContact CD1-CG1 3.87Å; F90-V125 HydrophobicContact CD1-CG2 4.45Å; F90-V125 HydrophobicContact CD2-CG1 3.88Å; F90-V125 HydrophobicContact CE1-CG1 4.09Å; F90-V125 HydrophobicContact CE2-CG1 4.1Å; F90-V125 HydrophobicContact CG-CG1 3.75Å; F90-V125 HydrophobicContact CG-CG2 4.18Å; F90-V125 HydrophobicContact CZ-CG1 4.19Å; C123-V125 PolarHBondContact SG-O 3.38Å |
| 126 | D | 92.3 | Very high | 93.4 | Very high | 88 Ų | 88 | 67.7 Ų | 67.7 | 47% | 0.471 | 36% | 0.358 | S | S | . | . | trans | -68.7 | 139.1 | -177.4 | -177.1 | 52.6 | 0 | 0 | 0 | 111.4 | R128 Q129 A130 | D126-R128 PolarHBondContact O-N 3.46Å; D126-R128 VanDerWaalsContact O-N 3.12Å; D126-R128 WeakPolarHBondContact OD2-CB 3.45Å; D126-R128 PolarHBondContact OD2-N 3.4Å; D126-Q129 HydrophobicContact CB-CG 4.1Å; D126-Q129 WeakPolarHBondContact O-CB 3.33Å; D126-Q129 PolarHBondContact O-N 3.24Å; D126-A130 PolarHBondContact O-N 3.37Å | ||
| 127 | T | 92.7 | Very high | 93.4 | Very high | 48 Ų | 48 | 69.6 Ų | 69.6 | 29% | 0.294 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -52.6 | -38.1 | 179.6 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | Q129 A130 Q131 Y141 E143 | T127-Q129 PolarHBondContact O-N 3.1Å; T127-A130 PolarHBondContact O-N 2.95Å; T127-Q131 HydrophobicContact CG2-CG 4.43Å; T127-Q131 WeakPolarHBondContact O-CB 3.44Å; T127-Q131 VanDerWaalsContact O-CG 3.28Å; T127-Q131 WeakPolarHBondContact O-CG 3.44Å; T127-Q131 PolarHBondContact O-N 2.85Å; T127-Y141 HydrophobicContact CG2-CE1 4.31Å; T127-E143 WeakPolarHBondContact CB-OE1 2.83Å; T127-E143 VanDerWaalsContact CG2-OE1 3.23Å; T127-E143 WeakPolarHBondContact CG2-OE1 3.31Å; T127-E143 PolarHBondContact OG1-OE1 3.41Å |
| 128 | R | 94.9 | Very high | 93.4 | Very high | 160 Ų | 160 | 69.9 Ų | 69.9 | 60% | 0.604 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 178.5 | -171.8 | -175.1 | 161.6 | 174.4 | -3.2 | 112 | D126 A130 Q131 E132 | D126-R128 PolarHBondContact O-N 3.46Å; D126-R128 VanDerWaalsContact O-N 3.12Å; D126-R128 WeakPolarHBondContact OD2-CB 3.45Å; D126-R128 PolarHBondContact OD2-N 3.4Å; R128-A130 VanDerWaalsContact C-N 3.34Å; R128-A130 PolarHBondContact O-N 3.45Å; R128-Q131 PolarHBondContact O-N 2.93Å; R128-E132 HydrophobicContact CG-CG 4.46Å; R128-E132 IonicContact CZ-OE1 2.7Å; R128-E132 IonicContact NE-OE1 2.89Å; R128-E132 PolarHBondContact NE-OE1 3.41Å; R128-E132 IonicContact NH2-OE1 3.86Å; R128-E132 PolarHBondContact NH2-OE1 2.95Å; R128-E132 WeakPolarHBondContact O-CB 3.2Å; R128-E132 WeakPolarHBondContact O-CG 2.78Å; R128-E132 PolarHBondContact O-N 3.32Å |
| 129 | Q | 95.4 | Very high | 93.6 | Very high | 102 Ų | 102 | 69.8 Ų | 69.8 | 48% | 0.477 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 178.2 | -66.7 | 177.4 | -47 | 0 | 0 | 110.9 | D126 T127 E132 L133 | D126-Q129 HydrophobicContact CB-CG 4.1Å; D126-Q129 WeakPolarHBondContact O-CB 3.33Å; D126-Q129 PolarHBondContact O-N 3.24Å; T127-Q129 PolarHBondContact O-N 3.1Å; Q129-E132 PolarHBondContact O-N 3.03Å; Q129-L133 WeakPolarHBondContact O-CB 3.5Å; Q129-L133 PolarHBondContact O-N 3.22Å |
| 130 | A | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F82 F90 D126 T127 R128 L133 A134 Y141 | F82-A130 HydrophobicContact CE1-CB 4.38Å; F82-A130 HydrophobicContact CZ-CB 3.79Å; F90-A130 HydrophobicContact CE2-CB 3.9Å; F90-A130 HydrophobicContact CZ-CB 4.36Å; D126-A130 PolarHBondContact O-N 3.37Å; T127-A130 PolarHBondContact O-N 2.95Å; R128-A130 VanDerWaalsContact C-N 3.34Å; R128-A130 PolarHBondContact O-N 3.45Å; A130-L133 PolarHBondContact O-N 2.98Å; A130-A134 WeakPolarHBondContact O-CB 3.38Å; A130-A134 PolarHBondContact O-N 3.1Å; A130-Y141 HydrophobicContact CB-CD1 4.36Å; A130-Y141 HydrophobicContact CB-CD2 4.24Å; A130-Y141 HydrophobicContact CB-CE1 3.76Å; A130-Y141 HydrophobicContact CB-CE2 3.66Å; A130-Y141 WeakPolarHBondContact CB-OH 3.45Å |
| 131 | Q | 97.1 | Very high | 94.1 | Very high | 91 Ų | 91 | 67.9 Ų | 67.9 | 43% | 0.425 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 173.7 | -73.9 | 174.4 | -3.7 | 0 | 0 | 112.7 | T127 R128 L133 A134 R135 Y141 | T127-Q131 HydrophobicContact CG2-CG 4.43Å; T127-Q131 WeakPolarHBondContact O-CB 3.44Å; T127-Q131 VanDerWaalsContact O-CG 3.28Å; T127-Q131 WeakPolarHBondContact O-CG 3.44Å; T127-Q131 PolarHBondContact O-N 2.85Å; R128-Q131 PolarHBondContact O-N 2.93Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-A134 PolarHBondContact O-N 2.87Å; Q131-R135 WeakPolarHBondContact O-CB 3.42Å; Q131-R135 PolarHBondContact O-N 2.65Å; Q131-Y141 HydrophobicContact CG-CD1 3.6Å; Q131-Y141 HydrophobicContact CG-CE1 4.09Å |
| 132 | E | 98 | Very high | 94.8 | Very high | 83 Ų | 83 | 62.7 Ų | 62.7 | 39% | 0.388 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 176.6 | -75.7 | 174.8 | -178.4 | 0 | 0 | 111.2 | R128 Q129 R135 S136 | R128-E132 HydrophobicContact CG-CG 4.46Å; R128-E132 IonicContact CZ-OE1 2.7Å; R128-E132 IonicContact NE-OE1 2.89Å; R128-E132 PolarHBondContact NE-OE1 3.41Å; R128-E132 IonicContact NH2-OE1 3.86Å; R128-E132 PolarHBondContact NH2-OE1 2.95Å; R128-E132 WeakPolarHBondContact O-CB 3.2Å; R128-E132 WeakPolarHBondContact O-CG 2.78Å; R128-E132 PolarHBondContact O-N 3.32Å; Q129-E132 PolarHBondContact O-N 3.03Å; E132-R135 PolarHBondContact O-N 2.94Å; E132-S136 PolarHBondContact O-N 3.02Å |
| 133 | L | 97.4 | Very high | 95.6 | Very high | 36 Ų | 36 | 62.4 Ų | 62.4 | 19% | 0.188 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 174.4 | -173.5 | 67.4 | 0 | 0 | 0 | 112.3 | F90 L113 Q129 A130 Q131 R135 S136 Y137 | F90-L133 HydrophobicContact CD2-CD2 4.29Å; F90-L133 HydrophobicContact CE1-CD2 4.23Å; F90-L133 HydrophobicContact CE2-CB 4.4Å; F90-L133 HydrophobicContact CE2-CD2 3.49Å; F90-L133 VanDerWaalsContact CE2-CD2 3.49Å; F90-L133 HydrophobicContact CZ-CB 3.97Å; F90-L133 HydrophobicContact CZ-CD2 3.46Å; F90-L133 VanDerWaalsContact CZ-CD2 3.46Å; F90-L133 HydrophobicContact CZ-CG 4.32Å; L113-L133 HydrophobicContact CD2-CD2 4.38Å; Q129-L133 WeakPolarHBondContact O-CB 3.5Å; Q129-L133 PolarHBondContact O-N 3.22Å; A130-L133 PolarHBondContact O-N 2.98Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 2.81Å; L133-S136 PolarHBondContact O-N 3.43Å; L133-S136 PolarHBondContact O-OG 3.1Å; L133-Y137 HydrophobicContact CD1-CD2 4.43Å; L133-Y137 HydrophobicContact CD1-CE1 4.21Å; L133-Y137 HydrophobicContact CD1-CE2 3.7Å; L133-Y137 HydrophobicContact CD2-CE2 4.04Å; L133-Y137 HydrophobicContact CG-CD2 4.14Å; L133-Y137 HydrophobicContact CG-CE2 3.65Å; L133-Y137 PolarHBondContact O-N 3.39Å; L133-Y137 VanDerWaalsContact O-N 3.1Å |
| 134 | A | 97.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L113 A130 Q131 Y137 G138 I139 | L113-A134 HydrophobicContact CB-CB 4.27Å; L113-A134 HydrophobicContact CD2-CB 3.92Å; A130-A134 WeakPolarHBondContact O-CB 3.38Å; A130-A134 PolarHBondContact O-N 3.1Å; Q131-A134 PolarHBondContact O-N 2.87Å; A134-Y137 CarbonylContact O-C 3.54Å; A134-Y137 PolarHBondContact O-N 3.23Å; A134-G138 PolarHBondContact O-N 3.36Å; A134-I139 CarbonylContact C-O 3.58Å; A134-I139 HydrophobicContact CB-CG1 4.34Å; A134-I139 WeakPolarHBondContact CB-O 3.43Å; A134-I139 PolarHBondContact O-N 2.87Å |
| 135 | R | 97.9 | Very high | 96.7 | Very high | 181 Ų | 181 | 55.6 Ų | 55.6 | 68% | 0.683 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.8 | -42.1 | 174.4 | -172.1 | -175.9 | -63 | 136.8 | 3.1 | 112 | Q131 E132 L133 Y137 G138 | Q131-R135 WeakPolarHBondContact O-CB 3.42Å; Q131-R135 PolarHBondContact O-N 2.65Å; E132-R135 PolarHBondContact O-N 2.94Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 2.81Å; R135-Y137 PolarHBondContact O-N 2.93Å; R135-G138 PolarHBondContact O-N 2.83Å; R135-G138 VanDerWaalsContact O-N 3.11Å |
| 136 | S | 97.6 | Very high | 96.9 | Very high | 87 Ų | 87 | 55.7 Ų | 55.7 | 61% | 0.608 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -66.2 | -27.8 | 178.2 | 75.4 | 0 | 0 | 0 | 0 | 112.5 | E132 L133 | E132-S136 PolarHBondContact O-N 3.02Å; L133-S136 PolarHBondContact O-N 3.43Å; L133-S136 PolarHBondContact O-OG 3.1Å |
| 137 | Y | 97.2 | Very high | 97 | Very high | 42 Ų | 42 | 57.1 Ų | 57.1 | 17% | 0.165 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -85.5 | -11.6 | 172.6 | -65.3 | -21 | 0 | 0 | 0 | 114.6 | I93 H94 L133 A134 R135 I139 | I93-Y137 HydrophobicContact CG2-CE2 4.29Å; H94-Y137 AromaticContact ND1-CZ 3.97Å; H94-Y137 PolarHBondContact ND1-OH 3.24Å; L133-Y137 HydrophobicContact CD1-CD2 4.43Å; L133-Y137 HydrophobicContact CD1-CE1 4.21Å; L133-Y137 HydrophobicContact CD1-CE2 3.7Å; L133-Y137 HydrophobicContact CD2-CE2 4.04Å; L133-Y137 HydrophobicContact CG-CD2 4.14Å; L133-Y137 HydrophobicContact CG-CE2 3.65Å; L133-Y137 PolarHBondContact O-N 3.39Å; L133-Y137 VanDerWaalsContact O-N 3.1Å; A134-Y137 CarbonylContact O-C 3.54Å; A134-Y137 PolarHBondContact O-N 3.23Å; R135-Y137 PolarHBondContact O-N 2.93Å; Y137-I139 HydrophobicContact CD2-CD1 4.27Å |
| 138 | G | 97.2 | Very high | 97.2 | Very high | 66 Ų | 66 | 58.8 Ų | 58.8 | 68% | 0.68 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 28.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A134 R135 | A134-G138 PolarHBondContact O-N 3.36Å; R135-G138 PolarHBondContact O-N 2.83Å; R135-G138 VanDerWaalsContact O-N 3.11Å |
| 139 | I | 98.3 | Very high | 97.2 | Very high | 25 Ų | 25 | 56.1 Ų | 56.1 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | trans | -121.8 | 156.5 | -177 | 66.9 | 179 | 0 | 0 | 0 | 111.7 | M111 L113 A134 Y137 | M111-I139 HydrophobicContact CB-CD1 4.16Å; M111-I139 HydrophobicContact CB-CG2 4.2Å; L113-I139 HydrophobicContact CB-CD1 4.06Å; L113-I139 HydrophobicContact CB-CG1 4.46Å; A134-I139 CarbonylContact C-O 3.58Å; A134-I139 HydrophobicContact CB-CG1 4.34Å; A134-I139 WeakPolarHBondContact CB-O 3.43Å; A134-I139 PolarHBondContact O-N 2.87Å; Y137-I139 HydrophobicContact CD2-CD1 4.27Å | ||
| 140 | P | 98.6 | Very high | 97.3 | Very high | 34 Ų | 34 | 56.1 Ų | 56.1 | 22% | 0.221 | 28% | 0.284 | C | S | . | . | trans | -65.4 | 150.7 | 173.9 | -20.9 | 33.9 | 0 | 0 | 0 | 112.6 | M111 V112 L113 T158 E162 | M111-P140 WeakPolarHBondContact O-CD 3.4Å; V112-P140 HydrophobicContact CG1-CB 4.35Å; V112-P140 HydrophobicContact CG2-CB 4.32Å; V112-P140 HydrophobicContact CG2-CG 4.28Å; L113-P140 PolarHBondContact N-O 3.39Å; P140-T158 HydrophobicContact CB-CG2 3.75Å; P140-T158 HydrophobicContact CG-CG2 3.77Å; P140-E162 HydrophobicContact CG-CG 3.95Å | ||
| 141 | Y | 98.6 | Very high | 97.4 | Very high | 39 Ų | 39 | 56.7 Ų | 56.7 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.3 | 170.1 | 174.2 | -121.3 | 0 | 0 | 0 | 110.7 | F82 L113 T127 A130 Q131 E143 | F82-Y141 AromaticContact CE1-CE2 3.82Å; F82-Y141 HydrophobicContact CE1-CE2 3.82Å; F82-Y141 AromaticContact CZ-CE2 3.9Å; F82-Y141 HydrophobicContact CZ-CE2 3.9Å; L113-Y141 HydrophobicContact CB-CD2 4.04Å; L113-Y141 HydrophobicContact CD2-CD2 3.81Å; L113-Y141 HydrophobicContact CD2-CE2 4.35Å; L113-Y141 HydrophobicContact CG-CD2 3.76Å; L113-Y141 HydrophobicContact CG-CE2 4.3Å; L113-Y141 WeakPolarHBondContact O-CA 3.48Å; L113-Y141 WeakPolarHBondContact O-CD2 3.24Å; T127-Y141 HydrophobicContact CG2-CE1 4.31Å; A130-Y141 HydrophobicContact CB-CD1 4.36Å; A130-Y141 HydrophobicContact CB-CD2 4.24Å; A130-Y141 HydrophobicContact CB-CE1 3.76Å; A130-Y141 HydrophobicContact CB-CE2 3.66Å; A130-Y141 WeakPolarHBondContact CB-OH 3.45Å; Q131-Y141 HydrophobicContact CG-CD1 3.6Å; Q131-Y141 HydrophobicContact CG-CE1 4.09Å; Y141-E143 HydrophobicContact CE1-CG 3.8Å; Y141-E143 WeakPolarHBondContact OH-CG 3.44Å; Y141-E143 PolarHBondContact OH-OE1 2.87Å |
| 142 | I | 98.5 | Very high | 97.4 | Very high | 26 Ų | 26 | 52.4 Ų | 52.4 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 126.3 | 179 | -61.8 | 177 | 0 | 0 | 0 | 109.5 | V112 L113 V114 G115 T144 D154 A155 T158 | V112-I142 HydrophobicContact CG1-CD1 4.16Å; V112-I142 HydrophobicContact CG1-CG1 4.29Å; L113-I142 PolarHBondContact O-N 2.86Å; V114-I142 WeakPolarHBondContact CA-O 3.26Å; G115-I142 PolarHBondContact N-O 3.4Å; I142-T144 HydrophobicContact CG2-CG2 3.86Å; I142-D154 HydrophobicContact CD1-CB 4.34Å; I142-D154 WeakPolarHBondContact CD1-O 3.39Å; I142-D154 HydrophobicContact CG2-CB 4.46Å; I142-A155 HydrophobicContact CG2-CB 4.31Å; I142-T158 HydrophobicContact CD1-CG2 4.03Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.49Å |
| 143 | E | 97.9 | Very high | 97.4 | Very high | 55 Ų | 55 | 51.4 Ų | 51.4 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 135.5 | 167.8 | -74.5 | -174.5 | 177.7 | 0 | 0 | 110.4 | G115 C118 T127 Y141 | G115-E143 CarbonylContact O-C 3.55Å; G115-E143 WeakPolarHBondContact O-CA 3.28Å; C118-E143 HydrophobicContact CB-CB 4.3Å; T127-E143 WeakPolarHBondContact CB-OE1 2.83Å; T127-E143 VanDerWaalsContact CG2-OE1 3.23Å; T127-E143 WeakPolarHBondContact CG2-OE1 3.31Å; T127-E143 PolarHBondContact OG1-OE1 3.41Å; Y141-E143 HydrophobicContact CE1-CG 3.8Å; Y141-E143 WeakPolarHBondContact OH-CG 3.44Å; Y141-E143 PolarHBondContact OH-OE1 2.87Å |
| 144 | T | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 153.3 | -176.4 | 60 | 0 | 0 | 0 | 0 | 112.1 | V114 G115 N116 K117 C118 I142 Q150 G151 A155 | V114-T144 HydrophobicContact CG1-CG2 3.7Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.36Å; G115-T144 PolarHBondContact O-N 3.25Å; N116-T144 CarbonylContact C-O 3.5Å; N116-T144 VanDerWaalsContact C-O 3.32Å; N116-T144 VanDerWaalsContact CA-O 3.26Å; N116-T144 WeakPolarHBondContact CA-O 3.4Å; N116-T144 WeakPolarHBondContact CA-OG1 3.44Å; N116-T144 PolarHBondContact OD1-O 3Å; N116-T144 PolarHBondContact OD1-OG1 2.96Å; K117-T144 PolarHBondContact N-O 3.45Å; C118-T144 PolarHBondContact N-O 3.02Å; C118-T144 VanDerWaalsContact N-O 3.1Å; C118-T144 PolarHBondContact SG-O 3.2Å; I142-T144 HydrophobicContact CG2-CG2 3.86Å; T144-Q150 CarbonylContact C-O 3.49Å; T144-Q150 VanDerWaalsContact CA-O 3.25Å; T144-Q150 WeakPolarHBondContact CA-O 3.41Å; T144-G151 WeakPolarHBondContact CG2-O 3.1Å; T144-A155 HydrophobicContact CG2-CB 4.04Å |
| 145 | S | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -130.7 | 109.5 | 162.6 | 172.6 | 0 | 0 | 0 | 0 | 108.1 | D119 K147 T148 R149 Q150 | D119-S145 VanDerWaalsContact OD1-CB 3.26Å; D119-S145 WeakPolarHBondContact OD1-CB 3.36Å; D119-S145 PolarHBondContact OD1-OG 3.07Å; S145-K147 PolarHBondContact O-N 3.07Å; S145-K147 PolarHBondContact OG-N 3.47Å; S145-T148 VanDerWaalsContact CB-OG1 3.22Å; S145-T148 WeakPolarHBondContact CB-OG1 3.22Å; S145-T148 PolarHBondContact O-N 2.73Å; S145-T148 PolarHBondContact OG-N 3.18Å; S145-T148 PolarHBondContact OG-OG1 3.23Å; S145-R149 CarbonylContact O-C 3.6Å; S145-R149 VanDerWaalsContact O-CA 3.27Å; S145-R149 WeakPolarHBondContact O-CA 3.2Å; S145-R149 PolarHBondContact O-N 3.4Å; S145-Q150 PolarHBondContact N-O 3.43Å; S145-Q150 PolarHBondContact O-N 3.22Å | ||
| 146 | A | 95.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.033 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -28.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A18 L19 Q22 F28 N116 | A18-A146 HydrophobicContact CB-CB 3.65Å; L19-A146 HydrophobicContact CD2-CB 3.9Å; L19-A146 HydrophobicContact CG-CB 4.2Å; Q22-A146 WeakPolarHBondContact CG-O 3.4Å; Q22-A146 PolarHBondContact NE2-O 3.17Å; F28-A146 HydrophobicContact CD2-CB 4.3Å; F28-A146 WeakPolarHBondContact CD2-O 3.47Å; F28-A146 HydrophobicContact CE2-CB 4.28Å; N116-A146 PolarHBondContact OD1-N 3.45Å |
| 147 | K | 94.9 | Very high | 97.5 | Very high | 119 Ų | 119 | 42.9 Ų | 42.9 | 52% | 0.517 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -46.9 | -179.4 | -175.3 | 176.8 | -176.5 | 173.9 | 0 | 112.7 | F28 D119 S145 | F28-K147 HydrophobicContact CD1-CB 4.45Å; F28-K147 HydrophobicContact CD1-CG 4.15Å; F28-K147 HydrophobicContact CD2-CB 4.41Å; F28-K147 HydrophobicContact CE1-CB 4.2Å; F28-K147 HydrophobicContact CE1-CD 4.44Å; F28-K147 HydrophobicContact CE1-CG 3.97Å; F28-K147 HydrophobicContact CE2-CB 4.21Å; F28-K147 HydrophobicContact CZ-CB 4.11Å; F28-K147 HydrophobicContact CZ-CG 4.35Å; D119-K147 WeakPolarHBondContact OD2-CD 3.23Å; S145-K147 PolarHBondContact O-N 3.07Å; S145-K147 PolarHBondContact OG-N 3.47Å |
| 148 | T | 95.6 | Very high | 97.6 | Very high | 82 Ų | 82 | 42 Ų | 42 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -2.1 | -178 | 68.8 | 0 | 0 | 0 | 0 | 113.3 | D119 S145 Q150 | D119-T148 HydrophobicContact CB-CG2 3.98Å; S145-T148 VanDerWaalsContact CB-OG1 3.22Å; S145-T148 WeakPolarHBondContact CB-OG1 3.22Å; S145-T148 PolarHBondContact O-N 2.73Å; S145-T148 PolarHBondContact OG-N 3.18Å; S145-T148 PolarHBondContact OG-OG1 3.23Å; T148-Q150 PolarHBondContact O-N 3Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.35Å; T148-Q150 PolarHBondContact OG1-N 3.23Å |
| 149 | R | 95.9 | Very high | 97.7 | Very high | 104 Ų | 104 | 38.9 Ų | 38.9 | 39% | 0.392 | 19% | 0.191 | S | C | . | . | trans | 66.1 | 4.9 | -172.2 | -168 | 173.1 | 168.8 | -163.7 | -2.2 | 114.1 | Q22 N26 S145 G151 V152 E153 | Q22-R149 HydrophobicContact CG-CB 4.15Å; Q22-R149 HydrophobicContact CG-CG 4.05Å; N26-R149 PolarHBondContact OD1-NH1 3.27Å; N26-R149 PolarHBondContact OD1-NH2 3Å; N26-R149 VanDerWaalsContact OD1-NH2 3.08Å; S145-R149 CarbonylContact O-C 3.6Å; S145-R149 VanDerWaalsContact O-CA 3.27Å; S145-R149 WeakPolarHBondContact O-CA 3.2Å; S145-R149 PolarHBondContact O-N 3.4Å; R149-G151 PolarHBondContact O-N 3.13Å; R149-V152 HydrophobicContact CG-CB 4.49Å; R149-V152 PolarHBondContact O-N 3.43Å; R149-E153 IonicContact CZ-OE1 2.87Å; R149-E153 IonicContact NE-OE1 2.65Å; R149-E153 IonicContact NH2-OE1 3.69Å; R149-E153 PolarHBondContact NH2-OE1 3.5Å | ||
| 150 | Q | 97.8 | Very high | 97.7 | Very high | 103 Ų | 103 | 37.7 Ų | 37.7 | 48% | 0.481 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 128.8 | 176.7 | 179.6 | 179.4 | -19.5 | 0 | 0 | 111.1 | T144 S145 T148 V152 | T144-Q150 CarbonylContact C-O 3.49Å; T144-Q150 VanDerWaalsContact CA-O 3.25Å; T144-Q150 WeakPolarHBondContact CA-O 3.41Å; S145-Q150 PolarHBondContact N-O 3.43Å; S145-Q150 PolarHBondContact O-N 3.22Å; T148-Q150 PolarHBondContact O-N 3Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.35Å; T148-Q150 PolarHBondContact OG1-N 3.23Å; Q150-V152 PolarHBondContact O-N 2.81Å |
| 151 | G | 97.4 | Very high | 97.7 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 12% | 0.124 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 0 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | T144 R149 D154 A155 | T144-G151 WeakPolarHBondContact CG2-O 3.1Å; R149-G151 PolarHBondContact O-N 3.13Å; G151-D154 PolarHBondContact O-N 3.34Å; G151-A155 WeakPolarHBondContact O-CB 3.33Å; G151-A155 PolarHBondContact O-N 3.25Å |
| 152 | V | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -54.3 | -175.3 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | L19 Q22 L23 R149 Q150 D154 A155 F156 | L19-V152 HydrophobicContact CD2-CG2 3.81Å; Q22-V152 HydrophobicContact CB-CG1 4.41Å; Q22-V152 HydrophobicContact CG-CG1 4.35Å; Q22-V152 HydrophobicContact CG-CG2 4.13Å; L23-V152 HydrophobicContact CB-CG1 4Å; R149-V152 HydrophobicContact CG-CB 4.49Å; R149-V152 PolarHBondContact O-N 3.43Å; Q150-V152 PolarHBondContact O-N 2.81Å; V152-D154 VanDerWaalsContact C-N 3.33Å; V152-D154 PolarHBondContact O-N 3.03Å; V152-A155 PolarHBondContact O-N 2.98Å; V152-F156 HydrophobicContact CG1-CD2 4.46Å; V152-F156 HydrophobicContact CG1-CE2 4.29Å; V152-F156 VanDerWaalsContact O-CD2 3.26Å; V152-F156 WeakPolarHBondContact O-CD2 3.43Å; V152-F156 PolarHBondContact O-N 3.08Å |
| 153 | E | 97.4 | Very high | 97.6 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 29% | 0.285 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 177.9 | -69.8 | -179.1 | 179.7 | 0 | 0 | 111.6 | L23 R149 A155 F156 Y157 | L23-E153 HydrophobicContact CD1-CG 3.95Å; R149-E153 IonicContact CZ-OE1 2.87Å; R149-E153 IonicContact NE-OE1 2.65Å; R149-E153 IonicContact NH2-OE1 3.69Å; R149-E153 PolarHBondContact NH2-OE1 3.5Å; E153-A155 VanDerWaalsContact C-N 3.28Å; E153-A155 PolarHBondContact O-N 3.49Å; E153-F156 PolarHBondContact O-N 2.94Å; E153-Y157 HydrophobicContact CB-CD2 4.27Å; E153-Y157 HydrophobicContact CB-CE2 3.99Å; E153-Y157 HydrophobicContact CG-CE2 4.49Å; E153-Y157 VanDerWaalsContact O-CB 3.28Å; E153-Y157 WeakPolarHBondContact O-CB 3Å; E153-Y157 WeakPolarHBondContact O-CD1 3.31Å; E153-Y157 PolarHBondContact O-N 3.07Å |
| 154 | D | 98.1 | Very high | 97.6 | Very high | 94 Ų | 94 | 37.4 Ų | 37.4 | 50% | 0.503 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.3 | -40.2 | -180 | -65.3 | -33.3 | 0 | 0 | 0 | 112 | I142 G151 V152 T158 | I142-D154 HydrophobicContact CD1-CB 4.34Å; I142-D154 WeakPolarHBondContact CD1-O 3.39Å; I142-D154 HydrophobicContact CG2-CB 4.46Å; G151-D154 PolarHBondContact O-N 3.34Å; V152-D154 VanDerWaalsContact C-N 3.33Å; V152-D154 PolarHBondContact O-N 3.03Å; D154-T158 WeakPolarHBondContact O-CB 3.5Å; D154-T158 PolarHBondContact O-N 3.28Å; D154-T158 PolarHBondContact O-OG1 3.2Å |
| 155 | A | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.8 | -54.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V114 I142 T144 G151 V152 E153 L159 | V114-A155 HydrophobicContact CG2-CB 4.05Å; I142-A155 HydrophobicContact CG2-CB 4.31Å; T144-A155 HydrophobicContact CG2-CB 4.04Å; G151-A155 WeakPolarHBondContact O-CB 3.33Å; G151-A155 PolarHBondContact O-N 3.25Å; V152-A155 PolarHBondContact O-N 2.98Å; E153-A155 VanDerWaalsContact C-N 3.28Å; E153-A155 PolarHBondContact O-N 3.49Å; A155-L159 PolarHBondContact O-N 2.95Å; A155-L159 VanDerWaalsContact O-N 3.15Å |
| 156 | F | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.4 | -38.5 | -179.4 | -71.1 | -87.1 | 0 | 0 | 0 | 112.2 | L6 V8 L19 L23 I55 L79 V152 E153 L159 V160 | L6-F156 HydrophobicContact CD1-CD1 3.89Å; V8-F156 HydrophobicContact CG2-CE1 4.02Å; V8-F156 HydrophobicContact CG2-CZ 4.26Å; L19-F156 HydrophobicContact CB-CE2 4.34Å; L23-F156 HydrophobicContact CB-CD2 4.25Å; L23-F156 HydrophobicContact CB-CE2 4.07Å; L23-F156 HydrophobicContact CD1-CD2 4.47Å; L23-F156 HydrophobicContact CD2-CB 3.93Å; L23-F156 HydrophobicContact CD2-CD1 3.83Å; L23-F156 HydrophobicContact CD2-CD2 3.48Å; L23-F156 VanDerWaalsContact CD2-CD2 3.48Å; L23-F156 HydrophobicContact CD2-CE1 4.16Å; L23-F156 HydrophobicContact CD2-CE2 3.85Å; L23-F156 HydrophobicContact CD2-CG 3.48Å; L23-F156 VanDerWaalsContact CD2-CG 3.48Å; L23-F156 HydrophobicContact CD2-CZ 4.19Å; L23-F156 HydrophobicContact CG-CD2 4.26Å; I55-F156 HydrophobicContact CD1-CD1 3.98Å; I55-F156 HydrophobicContact CD1-CE1 3.81Å; I55-F156 HydrophobicContact CG1-CD1 4.45Å; I55-F156 HydrophobicContact CG1-CE1 4.26Å; I55-F156 HydrophobicContact CG2-CE1 3.99Å; L79-F156 HydrophobicContact CD1-CD1 3.6Å; L79-F156 HydrophobicContact CD1-CD2 4.17Å; L79-F156 HydrophobicContact CD1-CE1 3.44Å; L79-F156 VanDerWaalsContact CD1-CE1 3.44Å; L79-F156 HydrophobicContact CD1-CE2 4.03Å; L79-F156 HydrophobicContact CD1-CG 3.97Å; L79-F156 HydrophobicContact CD1-CZ 3.66Å; V152-F156 HydrophobicContact CG1-CD2 4.46Å; V152-F156 HydrophobicContact CG1-CE2 4.29Å; V152-F156 VanDerWaalsContact O-CD2 3.26Å; V152-F156 WeakPolarHBondContact O-CD2 3.43Å; V152-F156 PolarHBondContact O-N 3.08Å; E153-F156 PolarHBondContact O-N 2.94Å; F156-L159 PolarHBondContact O-N 2.88Å; F156-V160 WeakPolarHBondContact O-CG2 3.38Å; F156-V160 PolarHBondContact O-N 3.48Å; F156-V160 VanDerWaalsContact O-N 3.07Å |
| 157 | Y | 98.4 | Very high | 97.4 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 13% | 0.125 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.5 | -36.4 | -177.4 | -66.1 | 1 | 0 | 0 | 0 | 111.4 | V44 I46 L53 E153 L159 V160 R161 | V44-Y157 HydrophobicContact CB-CE1 4.41Å; V44-Y157 HydrophobicContact CG1-CE1 4.42Å; V44-Y157 HydrophobicContact CG2-CE1 4.28Å; I46-Y157 HydrophobicContact CD1-CD1 3.43Å; I46-Y157 VanDerWaalsContact CD1-CD1 3.43Å; I46-Y157 HydrophobicContact CD1-CE1 3.88Å; I46-Y157 HydrophobicContact CD1-CG 3.92Å; I46-Y157 HydrophobicContact CG1-CD1 3.72Å; I46-Y157 HydrophobicContact CG1-CD2 4.21Å; I46-Y157 HydrophobicContact CG1-CE1 3.93Å; I46-Y157 HydrophobicContact CG1-CE2 4.38Å; I46-Y157 HydrophobicContact CG1-CG 3.88Å; I46-Y157 HydrophobicContact CG2-CG 4.36Å; L53-Y157 HydrophobicContact CD1-CE1 4.47Å; E153-Y157 HydrophobicContact CB-CD2 4.27Å; E153-Y157 HydrophobicContact CB-CE2 3.99Å; E153-Y157 HydrophobicContact CG-CE2 4.49Å; E153-Y157 VanDerWaalsContact O-CB 3.28Å; E153-Y157 WeakPolarHBondContact O-CB 3Å; E153-Y157 WeakPolarHBondContact O-CD1 3.31Å; E153-Y157 PolarHBondContact O-N 3.07Å; Y157-L159 VanDerWaalsContact C-N 3.31Å; Y157-L159 PolarHBondContact O-N 3.28Å; Y157-V160 PolarHBondContact O-N 3.05Å; Y157-R161 WeakPolarHBondContact O-CG 3.36Å; Y157-R161 PolarHBondContact O-N 3.47Å |
| 158 | T | 98.8 | Very high | 97.2 | Very high | 24 Ų | 24 | 45.7 Ų | 45.7 | 15% | 0.147 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 171.5 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | V112 P140 I142 D154 V160 R161 E162 | V112-T158 HydrophobicContact CG2-CG2 3.97Å; P140-T158 HydrophobicContact CB-CG2 3.75Å; P140-T158 HydrophobicContact CG-CG2 3.77Å; I142-T158 HydrophobicContact CD1-CG2 4.03Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.49Å; D154-T158 WeakPolarHBondContact O-CB 3.5Å; D154-T158 PolarHBondContact O-N 3.28Å; D154-T158 PolarHBondContact O-OG1 3.2Å; T158-V160 VanDerWaalsContact C-N 3.33Å; T158-V160 PolarHBondContact O-N 2.98Å; T158-R161 WeakPolarHBondContact O-CB 3.3Å; T158-R161 PolarHBondContact O-N 3.08Å; T158-R161 VanDerWaalsContact O-N 3.09Å; T158-E162 WeakPolarHBondContact O-CG 3.35Å; T158-E162 PolarHBondContact O-N 3.16Å |
| 159 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 175.5 | -178 | 61.1 | 0 | 0 | 0 | 112.4 | L6 L79 P110 V112 A155 F156 Y157 R161 E162 I163 | L6-L159 HydrophobicContact CB-CD2 4.22Å; L6-L159 HydrophobicContact CD1-CD2 4.44Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.11Å; L6-L159 HydrophobicContact CG-CD2 4.39Å; L79-L159 HydrophobicContact CD2-CB 4Å; L79-L159 HydrophobicContact CD2-CD2 3.79Å; L79-L159 HydrophobicContact CD2-CG 4.43Å; L79-L159 HydrophobicContact CG-CD2 3.79Å; P110-L159 HydrophobicContact CB-CD1 4.4Å; V112-L159 HydrophobicContact CG2-CB 3.91Å; V112-L159 HydrophobicContact CG2-CD1 4.12Å; A155-L159 PolarHBondContact O-N 2.95Å; A155-L159 VanDerWaalsContact O-N 3.15Å; F156-L159 PolarHBondContact O-N 2.88Å; Y157-L159 VanDerWaalsContact C-N 3.31Å; Y157-L159 PolarHBondContact O-N 3.28Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 3.05Å; L159-E162 PolarHBondContact O-N 3.03Å; L159-I163 HydrophobicContact CG-CD1 4.32Å; L159-I163 WeakPolarHBondContact O-CG1 3.21Å; L159-I163 PolarHBondContact O-N 3.35Å |
| 160 | V | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.5 | -40.7 | 173.9 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | Y4 L6 I46 L53 F156 Y157 T158 I163 R164 | Y4-V160 HydrophobicContact CD1-CG1 4.49Å; Y4-V160 HydrophobicContact CD2-CG1 3.73Å; Y4-V160 HydrophobicContact CD2-CG2 4.16Å; Y4-V160 HydrophobicContact CE1-CG1 4.33Å; Y4-V160 HydrophobicContact CE2-CG1 3.52Å; Y4-V160 HydrophobicContact CG-CG1 4.22Å; Y4-V160 HydrophobicContact CG-CG2 4.29Å; L6-V160 HydrophobicContact CD1-CG2 4.25Å; L6-V160 HydrophobicContact CD2-CG2 4.39Å; I46-V160 HydrophobicContact CD1-CB 3.86Å; I46-V160 HydrophobicContact CD1-CG1 3.88Å; I46-V160 HydrophobicContact CD1-CG2 3.74Å; I46-V160 HydrophobicContact CG2-CG1 4.49Å; L53-V160 HydrophobicContact CD2-CG2 3.65Å; F156-V160 WeakPolarHBondContact O-CG2 3.38Å; F156-V160 PolarHBondContact O-N 3.48Å; F156-V160 VanDerWaalsContact O-N 3.07Å; Y157-V160 PolarHBondContact O-N 3.05Å; T158-V160 VanDerWaalsContact C-N 3.33Å; T158-V160 PolarHBondContact O-N 2.98Å; V160-I163 PolarHBondContact O-N 2.98Å; V160-R164 WeakPolarHBondContact O-CG 3.49Å; V160-R164 PolarHBondContact O-N 3.24Å |
| 161 | R | 98.5 | Very high | 96 | Very high | 77 Ų | 77 | 49.7 Ų | 49.7 | 29% | 0.291 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 175.2 | -66.9 | 173.4 | -171 | 121.2 | -1.8 | 111.8 | D47 Y157 T158 L159 I163 R164 Q165 | D47-R161 IonicContact OD1-CZ 3.88Å; D47-R161 IonicContact OD1-NE 2.82Å; D47-R161 PolarHBondContact OD1-NE 3.28Å; D47-R161 IonicContact OD1-NH2 2.76Å; D47-R161 PolarHBondContact OD1-NH2 3.39Å; D47-R161 WeakPolarHBondContact OD2-CG 3.3Å; D47-R161 IonicContact OD2-CZ 3.77Å; D47-R161 IonicContact OD2-NE 3.39Å; D47-R161 PolarHBondContact OD2-NE 3.3Å; D47-R161 IonicContact OD2-NH2 3.28Å; Y157-R161 WeakPolarHBondContact O-CG 3.36Å; Y157-R161 PolarHBondContact O-N 3.47Å; T158-R161 WeakPolarHBondContact O-CB 3.3Å; T158-R161 PolarHBondContact O-N 3.08Å; T158-R161 VanDerWaalsContact O-N 3.09Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 3.05Å; R161-I163 VanDerWaalsContact C-N 3.35Å; R161-I163 PolarHBondContact O-N 3.43Å; R161-R164 WeakPolarHBondContact O-CB 3.4Å; R161-R164 PolarHBondContact O-N 2.69Å; R161-Q165 WeakPolarHBondContact O-CG 3.49Å; R161-Q165 PolarHBondContact O-N 3.2Å |
| 162 | E | 98.4 | Very high | 95.4 | Very high | 30 Ų | 30 | 55 Ų | 55 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 174.6 | -68.9 | -55.2 | 114.3 | 0 | 0 | 111.6 | P110 V112 P140 T158 L159 R164 Q165 H166 | P110-E162 HydrophobicContact CB-CB 4.09Å; V112-E162 HydrophobicContact CG2-CG 4.42Å; P140-E162 HydrophobicContact CG-CG 3.95Å; T158-E162 WeakPolarHBondContact O-CG 3.35Å; T158-E162 PolarHBondContact O-N 3.16Å; L159-E162 PolarHBondContact O-N 3.03Å; E162-R164 PolarHBondContact O-N 3.25Å; E162-Q165 PolarHBondContact O-N 3.38Å; E162-H166 WeakPolarHBondContact O-CB 3.28Å; E162-H166 PolarHBondContact O-N 2.76Å |
| 163 | I | 98.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 175.7 | -64.6 | 164.3 | 0 | 0 | 0 | 110.9 | Y4 L6 E76 P110 L159 V160 R161 H166 K167 | Y4-I163 HydrophobicContact CD1-CB 4.35Å; Y4-I163 HydrophobicContact CD1-CD1 4.4Å; Y4-I163 HydrophobicContact CD1-CG2 3.82Å; Y4-I163 HydrophobicContact CE1-CG2 4Å; L6-I163 HydrophobicContact CD2-CD1 3.37Å; E76-I163 HydrophobicContact CB-CD1 4Å; E76-I163 HydrophobicContact CB-CG1 4.38Å; E76-I163 HydrophobicContact CB-CG2 4.15Å; P110-I163 HydrophobicContact CB-CG1 3.72Å; P110-I163 HydrophobicContact CG-CG1 4.07Å; L159-I163 HydrophobicContact CG-CD1 4.32Å; L159-I163 WeakPolarHBondContact O-CG1 3.21Å; L159-I163 PolarHBondContact O-N 3.35Å; V160-I163 PolarHBondContact O-N 2.98Å; R161-I163 VanDerWaalsContact C-N 3.35Å; R161-I163 PolarHBondContact O-N 3.43Å; I163-H166 PolarHBondContact O-N 3.26Å; I163-K167 HydrophobicContact CG2-CD 4.11Å; I163-K167 HydrophobicContact CG2-CG 4.45Å; I163-K167 WeakPolarHBondContact O-CB 3.41Å; I163-K167 WeakPolarHBondContact O-CG 3.44Å; I163-K167 PolarHBondContact O-N 3.19Å |
| 164 | R | 97.1 | Very high | 93 | Very high | 40 Ų | 40 | 61.9 Ų | 61.9 | 15% | 0.151 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 176.4 | -73.5 | 169.3 | 173 | 173.2 | -4.3 | 111.1 | Y4 I46 D47 E49 V160 R161 E162 H166 K167 L168 | Y4-R164 HydrophobicContact CE1-CG 4.25Å; Y4-R164 VanDerWaalsContact OH-CG 3.27Å; Y4-R164 WeakPolarHBondContact OH-CG 3.49Å; Y4-R164 PolarHBondContact OH-NE 3.02Å; I46-R164 PolarHBondContact O-NH1 2.84Å; I46-R164 PolarHBondContact O-NH2 3.45Å; D47-R164 IonicContact OD2-NH1 3.87Å; E49-R164 IonicContact OE2-CZ 3.6Å; E49-R164 VanDerWaalsContact OE2-CZ 3.28Å; E49-R164 IonicContact OE2-NE 2.85Å; E49-R164 PolarHBondContact OE2-NE 3.33Å; E49-R164 IonicContact OE2-NH2 3.63Å; E49-R164 PolarHBondContact OE2-NH2 3.31Å; V160-R164 WeakPolarHBondContact O-CG 3.49Å; V160-R164 PolarHBondContact O-N 3.24Å; R161-R164 WeakPolarHBondContact O-CB 3.4Å; R161-R164 PolarHBondContact O-N 2.69Å; E162-R164 PolarHBondContact O-N 3.25Å; R164-H166 PolarHBondContact O-N 3.15Å; R164-K167 PolarHBondContact O-N 3.49Å; R164-L168 WeakPolarHBondContact O-CG 3.27Å; R164-L168 PolarHBondContact O-N 3.3Å |
| 165 | Q | 96.2 | Very high | 91.4 | Very high | 95 Ų | 95 | 64.3 Ų | 64.3 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 178.7 | -71.1 | 179.9 | 24.6 | 0 | 0 | 112.3 | R161 E162 L168 R169 | R161-Q165 WeakPolarHBondContact O-CG 3.49Å; R161-Q165 PolarHBondContact O-N 3.2Å; E162-Q165 PolarHBondContact O-N 3.38Å; Q165-L168 PolarHBondContact O-N 2.98Å; Q165-R169 WeakPolarHBondContact O-CG 3.49Å; Q165-R169 PolarHBondContact O-N 3.5Å |
| 166 | H | 95.9 | Very high | 89.5 | Confident | 22 Ų | 22 | 73.6 Ų | 73.6 | 10% | 0.102 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64 | -41.1 | 176.9 | 166.2 | -93 | 0 | 0 | 0 | 111.9 | D108 P110 E162 I163 R164 L168 R169 K170 | D108-H166 PolarHBondContact O-CD2 3.37Å; D108-H166 VanDerWaalsContact O-CD2 3.25Å; D108-H166 PolarHBondContact O-NE2 2.86Å; D108-H166 IonicContact OD2-CD2 3.79Å; P110-H166 HydrophobicContact CG-CB 3.64Å; E162-H166 WeakPolarHBondContact O-CB 3.28Å; E162-H166 PolarHBondContact O-N 2.76Å; I163-H166 PolarHBondContact O-N 3.26Å; R164-H166 PolarHBondContact O-N 3.15Å; H166-L168 VanDerWaalsContact C-N 3.33Å; H166-L168 PolarHBondContact O-N 3.29Å; H166-R169 PolarHBondContact O-N 3.14Å; H166-K170 VanDerWaalsContact CE1-CE 3.47Å; H166-K170 WeakPolarHBondContact CE1-CE 3.39Å; H166-K170 PolarHBondContact CE1-NZ 3.18Å; H166-K170 WeakPolarHBondContact NE2-CE 3.43Å; H166-K170 PolarHBondContact NE2-NZ 3.14Å; H166-K170 VanDerWaalsContact NE2-NZ 3.18Å; H166-K170 PolarHBondContact O-N 3.45Å; H166-K170 VanDerWaalsContact O-N 3.07Å |
| 167 | K | 94.1 | Very high | 87.3 | Confident | 75 Ų | 75 | 78 Ų | 78 | 33% | 0.326 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 173.3 | -74.9 | 178.5 | 177.6 | 177 | 0 | 111.6 | E76 I163 R164 K170 L171 | E76-K167 WeakPolarHBondContact OE1-CE 3.49Å; E76-K167 IonicContact OE1-NZ 3.71Å; E76-K167 PolarHBondContact OE1-NZ 3.35Å; E76-K167 IonicContact OE2-NZ 3.43Å; E76-K167 PolarHBondContact OE2-NZ 3.07Å; I163-K167 HydrophobicContact CG2-CD 4.11Å; I163-K167 HydrophobicContact CG2-CG 4.45Å; I163-K167 WeakPolarHBondContact O-CB 3.41Å; I163-K167 WeakPolarHBondContact O-CG 3.44Å; I163-K167 PolarHBondContact O-N 3.19Å; R164-K167 PolarHBondContact O-N 3.49Å; K167-K170 PolarHBondContact O-N 3.33Å; K167-L171 WeakPolarHBondContact O-CG 3.48Å; K167-L171 PolarHBondContact O-N 3.33Å |
| 168 | L | 92.4 | Very high | 85 | Confident | 105 Ų | 105 | 79.9 Ų | 79.9 | 55% | 0.55 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 175.8 | -71.6 | 169.7 | 0 | 0 | 0 | 112.5 | R164 Q165 H166 K170 L171 N172 | R164-L168 WeakPolarHBondContact O-CG 3.27Å; R164-L168 PolarHBondContact O-N 3.3Å; Q165-L168 PolarHBondContact O-N 2.98Å; H166-L168 VanDerWaalsContact C-N 3.33Å; H166-L168 PolarHBondContact O-N 3.29Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 3.14Å; L168-L171 PolarHBondContact O-N 3.26Å; L168-N172 PolarHBondContact O-N 3.04Å |
| 169 | R | 90.8 | Very high | 82.8 | Confident | 105 Ų | 105 | 88 Ų | 88 | 40% | 0.396 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.8 | -38.2 | 176.5 | -76.5 | -178.7 | -96.1 | 158.2 | -13.8 | 112.4 | D108 Q165 H166 N172 | D108-R169 IonicContact OD1-CZ 3.5Å; D108-R169 IonicContact OD1-NH1 3.33Å; D108-R169 PolarHBondContact OD1-NH1 3.46Å; D108-R169 IonicContact OD2-CZ 3.49Å; D108-R169 IonicContact OD2-NH1 3.68Å; D108-R169 PolarHBondContact OD2-NH1 3.14Å; Q165-R169 WeakPolarHBondContact O-CG 3.49Å; Q165-R169 PolarHBondContact O-N 3.5Å; H166-R169 PolarHBondContact O-N 3.14Å; R169-N172 CarbonylContact O-C 3.54Å; R169-N172 VanDerWaalsContact O-C 3.27Å |
| 170 | K | 86.9 | Confident | 80.4 | Confident | 136 Ų | 136 | 95.8 Ų | 95.8 | 59% | 0.591 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.6 | -29.8 | 176.3 | -76 | -169.3 | 169.2 | 175.2 | 0 | 114 | H166 K167 L168 | H166-K170 VanDerWaalsContact CE1-CE 3.47Å; H166-K170 WeakPolarHBondContact CE1-CE 3.39Å; H166-K170 PolarHBondContact CE1-NZ 3.18Å; H166-K170 WeakPolarHBondContact NE2-CE 3.43Å; H166-K170 PolarHBondContact NE2-NZ 3.14Å; H166-K170 VanDerWaalsContact NE2-NZ 3.18Å; H166-K170 PolarHBondContact O-N 3.45Å; H166-K170 VanDerWaalsContact O-N 3.07Å; K167-K170 PolarHBondContact O-N 3.33Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 3.14Å |
| 171 | L | 86.3 | Confident | 78 | Confident | 133 Ų | 133 | 101.7 Ų | 101.7 | 70% | 0.696 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -78.8 | -33 | 177.1 | -72 | 166.6 | 0 | 0 | 0 | 112.2 | K167 L168 P173 | K167-L171 WeakPolarHBondContact O-CG 3.48Å; K167-L171 PolarHBondContact O-N 3.33Å; L168-L171 PolarHBondContact O-N 3.26Å; L171-P173 VanDerWaalsContact C-CD 3.44Å; L171-P173 WeakPolarHBondContact O-CD 3.46Å |
| 172 | N | 84.4 | Confident | 75.6 | Confident | 124 Ų | 124 | 107.5 Ų | 107.5 | 66% | 0.663 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -119.2 | 71.1 | 178.6 | -63 | -24.6 | 0 | 0 | 0 | 109.8 | L168 R169 | L168-N172 PolarHBondContact O-N 3.04Å; R169-N172 CarbonylContact O-C 3.54Å; R169-N172 VanDerWaalsContact O-C 3.27Å |
| 173 | P | 74.6 | Confident | 73.6 | Confident | 93 Ų | 93 | 110.9 Ų | 110.9 | 60% | 0.604 | 60% | 0.602 | S | S | * | * | trans | -57.9 | 139.5 | 174.5 | 25.2 | -31.9 | 0 | 0 | 0 | 108.9 | L171 D175 | L171-P173 VanDerWaalsContact C-CD 3.44Å; L171-P173 WeakPolarHBondContact O-CD 3.46Å; P173-D175 PolarHBondContact O-N 3.18Å | ||
| 174 | P | 68.8 | Low | 71.2 | Confident | 113 Ų | 113 | 116.4 Ų | 116.4 | 73% | 0.734 | 64% | 0.639 | S | S | * | * | trans | -56 | 131 | 172.6 | 23.2 | -30.6 | 0 | 0 | 0 | 108.5 | E176 | P174-E176 PolarHBondContact O-N 3.35Š| ||
| 175 | D | 64.5 | Low | 68.9 | Low | 145 Ų | 145 | 126.1 Ų | 126.1 | 78% | 0.775 | 68% | 0.676 | S | S | * | * | trans | -57 | 104.7 | 178.4 | -124.1 | -40.9 | 0 | 0 | 0 | 108.7 | P173 S177 | P173-D175 PolarHBondContact O-N 3.18Å; D175-S177 PolarHBondContact O-N 3.05Å; D175-S177 PolarHBondContact OD1-OG 2.98Å | ||
| 176 | E | 58.6 | Low | 66.5 | Low | 196 Ų | 196 | 126.4 Ų | 126.4 | 92% | 0.916 | 69% | 0.688 | S | S | * | * | trans | -74.3 | 36.3 | 169.4 | -69 | -163.8 | 141.2 | 0 | 0 | 111.1 | P174 | P174-E176 PolarHBondContact O-N 3.35Š| ||
| 177 | S | 52.4 | Low | 64.3 | Low | 91 Ų | 91 | 131.6 Ų | 131.6 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | trans | -111.1 | 63.2 | 179 | 55.9 | 0 | 0 | 0 | 0 | 110 | D175 | D175-S177 PolarHBondContact O-N 3.05Å; D175-S177 PolarHBondContact OD1-OG 2.98Å | ||
| 178 | G | 51.3 | Low | 62.4 | Low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -163.1 | 5.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 179 | Q | 51.4 | Low | 60.6 | Low | 195 Ų | 195 | 138.5 Ų | 138.5 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -137.2 | 53 | 178.3 | -109 | 177.7 | -1.1 | 0 | 0 | 112.6 | ||
| 180 | D | 50 | Low | 59.1 | Low | 164 Ų | 164 | 140.2 Ų | 140.2 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -153.1 | 75.1 | 156.7 | -141.7 | 5.6 | 0 | 0 | 0 | 111.5 | ||||
| 181 | C | 47.5 | Very low | 57.6 | Low | 123 Ų | 123 | 140.4 Ų | 140.4 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -163.2 | 74.9 | 159 | -151.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 182 | M | 47.7 | Very low | 56 | Low | 200 Ų | 200 | 140.8 Ų | 140.8 | 99% | 0.985 | 82% | 0.817 | S | S | * | * | trans | -139.8 | 61.2 | 146.1 | -87.6 | -163.5 | 172.5 | 0 | 0 | 109.1 | ||||
| 183 | S | 57.2 | Low | 54.3 | Low | 100 Ų | 100 | 141.8 Ų | 141.8 | 70% | 0.699 | 83% | 0.827 | S | S | * | * | trans | -97.2 | 132.1 | 157.7 | 177.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 184 | C | 48.1 | Very low | 53.1 | Low | 118 Ų | 118 | 144.8 Ų | 144.8 | 80% | 0.797 | 84% | 0.84 | S | S | * | * | trans | 75.9 | 104.2 | 158.6 | -71.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 185 | R | 48.8 | Very low | 52 | Low | 243 Ų | 243 | 146.9 Ų | 146.9 | 92% | 0.917 | 85% | 0.848 | S | S | * | * | trans | -172.7 | 128.6 | 131.7 | -97.4 | 179 | -177.5 | -174 | 0.3 | 105.9 | ||||
| 186 | C | 44 | Very low | 51.1 | Low | 102 Ų | 102 | 147.1 Ų | 147.1 | 69% | 0.689 | 85% | 0.853 | S | S | * | * | cis | -167.4 | 140.4 | 24.6 | -99.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 187 | V | 51.1 | Low | 50.5 | Low | 131 Ų | 131 | 143.3 Ų | 143.3 | 79% | 0.794 | 85% | 0.848 | S | S | * | * | 72.3 | 112.5 | 129.7 | -171.9 | 0 | 0 | 0 | 0 | 120 | |||||
| 188 | V | 52.8 | Low | 50.4 | Low | 132 Ų | 132 | 147.7 Ų | 147.7 | 80% | 0.8 | 87% | 0.866 | S | S | * | * | trans | -50.9 | 128.4 | 155.7 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 189 | S | 54.8 | Low | 50.3 | Low | 192 Ų | 192 | 154.5 Ų | 154.5 | 100% | 1.343 | 88% | 0.877 | S | S | * | * | trans | -174.8 | 0 | 133.3 | -74.4 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 189 of 189 residues in 1148.7 ms
(Link to these results)